Publications - UNC Eshelman School of Pharmacy

2023

CaMKK2 is not involved in contraction-stimulated AMPK activation and glucose uptake in skeletal muscle. Negoita F, Addinsall AB, Hellberg K, Bringas CF, Hafen PS, Sermersheim TJ, Agerholm M, Lewis CTA, Ahwazi D, Ling NXY, Larsen JK, Deshmukh AS, Hossain MA, Oakhill JS, Ochala J, Brault JJ, Sankar U, Drewry DH, Scott JW, Witczak CA, Sakamoto K.Mol Metab. 2023 Sep;75:101761. doi: 10.1016/j.molmet.2023.101761. Epub 2023 Jun 26.PMID: 37380024

Characterization of covalent inhibitors that disrupt the interaction between the tandem SH2 domains of SYK and FCER1G phospho-ITAM. Bashore FM, Katis VL, Du Y, Sikdar A, Wang D, Bradshaw WJ, Rygiel KA, Leisner TM, Chalk R, Mishra S, Williams AC, Gileadi O, Brennan PE, Wiley JC, Gockley J, Cary GA, Carter GW, Young JE, Pearce KH, Fu H; Emory-Sage-SGC TREAT-AD Center; Axtman AD.bioRxiv. 2023 Jul 29:2023.07.28.551026. doi: 10.1101/2023.07.28.551026. Preprint.PMID: 37547005

Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. Harding RJ, Franzoni I, Mann MK, Szewczyk MM, Mirabi B, Ferreira de Freitas R, Owens DDG, Ackloo S, Scheremetjew A, Juarez-Ornelas KA, Sanichar R, Baker RJ, Dank C, Brown PJ, Barsyte-Lovejoy D, Santhakumar V, Schapira M, Lautens M, Arrowsmith CH.J Med Chem. 2023 Jul 27. doi: 10.1021/acs.jmedchem.3c00314. Online ahead of print.PMID: 37499118

Discovery and characterization of a specific inhibitor of serine-threonine kinase cyclin-dependent kinase-like 5 (CDKL5) demonstrates role in hippocampal CA1 physiology. Castano A, Silvestre M, Wells CI, Sanderson JL, Ferrer CA, Ong HW, Lang Y, Richardson W, Silvaroli JA, Bashore FM, Smith JL, Genereux IM, Dempster K, Drewry DH, Pabla NS, Bullock AN, Benke TA, Ultanir SK, Axtman AD.Elife. 2023 Jul 25;12:e88206. doi: 10.7554/eLife.88206.PMID: 37490324

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5-a]pyrimidines Toward the Development of an In Vivo Chemical Probe for CSNK2. Yang X, Ong HW, Dickmander RJ, Smith JL, Brown JW, Tao W, Chang E, Moorman NJ, Axtman AD, Willson TM.bioRxiv. 2023 Jul 23:2023.05.15.540828. doi: 10.1101/2023.05.15.540828. Preprint.PMID: 37292607

Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. Kimani SW, Owen J, Green SR, Li F, Li Y, Dong A, Brown PJ, Ackloo S, Kuter D, Yang C, MacAskill M, MacKinnon SS, Arrowsmith CH, Schapira M, Shahani V, Halabelian L.J Chem Inf Model. 2023 Jul 10;63(13):4070-4078. doi: 10.1021/acs.jcim.3c00082. Epub 2023 Jun 23.PMID: 37350740

Functionalization of 2,4-Dichloropyrimidines by 2,2,6,6-Tetramethylpiperidyl Zinc Base Enables Modular Synthesis of Antimalarial Diaminopyrimidine P218 and Analogues. Meirelles MA, de Toledo I, Thurow S, Barreiro G, Couñago RM, Pilli RA.J Org Chem. 2023 Jul 7;88(13):9475-9487. doi: 10.1021/acs.joc.3c00500. Epub 2023 Jun 8.PMID: 37290116

Identification of inhibitors for the transmembrane Trypanosoma cruzi eIF2α kinase relevant for parasite proliferation. Marcelino TP, Fala AM, da Silva MM, Souza-Melo N, Malvezzi AM, Klippel AH, Zoltner M, Padilla-Mejia N, Kosto S, Field MC, Burle-Caldas GA, Teixeira SMR, Couñago RM, Massirer KB, Schenkman S.J Biol Chem. 2023 Jul;299(7):104857. doi: 10.1016/j.jbc.2023.104857. Epub 2023 May 23.PMID: 37230387

Discovery and characterization of a specific inhibitor of serine-threonine kinase cyclin dependent kinase-like 5 (CDKL5) demonstrates role in hippocampal CA1 physiology. Castano A, Silvestre M, Wells CI, Sanderson JL, Ferrer CA, Ong HW, Lang Y, Richardson W, Silvaroli JA, Bashore FM, Smith JL, Genereux IM, Dempster K, Drewry DH, Pabla NS, Bullock AN, Benke TA, Ultanir S, Axtman AD.bioRxiv. 2023 Jun 16:2023.04.24.538049. doi: 10.1101/2023.04.24.538049. Preprint.PMID: 37162893

A novel BRET-based assay to investigate binding and residence time of unmodified ligands to the human lysosomal ion channel TRPML1 in intact cells. Cunha MR, Catta-Preta CMC, Takarada JE, Moreira GA, Massirer KB, Couñago RM.J Biol Chem. 2023 Jun;299(6):104807. doi: 10.1016/j.jbc.2023.104807. Epub 2023 May 11.PMID: 37172730

Targeting the Divergent Roles of STK3 Inhibits Breast Cancer Cell Growth and Opposes Doxorubicin-Induced Cardiotoxicity In Vitro. Nam J, Schirmer AU, Loh C, Drewry DH, Macias E.Cancers (Basel). 2023 May 18;15(10):2817. doi: 10.3390/cancers15102817.PMID: 37345153

Towards the development of a chemical probe targeting the disruption of SYK tandem SH2 domain and FCεR1γ interactions for Alzheimer’s disease. Potjewyd, F. M.; Katis, V.; Du, Y.; Bradshaw, W.; Sikdar, A.; Nwogbo, F.; Leisner, T.; Wang, D.; Hardy, B. P.; Kireev, D. B.; Pearce, K. H.; Fu, H.; Frye, S. V.; Axtman, A. D. Alzheimers Dement 2023, 19, e067392; doi: 10.1002/alz.067392

Open drug discovery in Alzheimer’s disease. Axtman AD, Brennan PE, Frappier-Brinton T, Betarbet R, Carter GW, Fu H, Gileadi O, Greenwood AK, Leal K, Longo FM, Mangravite LM, Edwards AM, Levey AI; Emory‐Sage‐SGC TREAT‐AD Center.Alzheimers Dement (N Y). 2023 May 17;9(2):e12394. doi: 10.1002/trc2.12394. eCollection 2023 Apr-Jun.PMID: 37215505

Development of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic strategy for Alzheimer’s disease. Du Y, Bradshaw WJ, Leisner TM, Annor-Gyamfi JK, Qian K, Bashore FM, Sikdar A, Nwogbo FO, Ivanov AA, Frye SV, Gileadi O, Brennan PE, Levey AI; Emory-Sage-SGC TREAT-AD Center; Axtman AD, Pearce KH, Fu H, Katis VL.bioRxiv. 2023 May 22:2023.05.22.541727. doi: 10.1101/2023.05.22.541727. Preprint.PMID: 37292860

Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective. Ong HW, Liang Y, Richardson W, Lowry ER, Wells CI, Chen X, Silvestre M, Dempster K, Silvaroli JA, Smith JL, Wichterle H, Pabla NS, Ultanir SK, Bullock AN, Drewry DH, Axtman AD.ACS Chem Neurosci. 2023 May 3;14(9):1672-1685. doi: 10.1021/acschemneuro.3c00135. Epub 2023 Apr 21.PMID: 37084253

Editorial: The next generation of tools and technologies for studying human neurons in a dish. Durcan TM, Axtman AD.Front Cell Neurosci. 2023 Apr 14;17:1196543. doi: 10.3389/fncel.2023.1196543. eCollection 2023.PMID: 37124399

Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Bashore FM, Marquez AB, Chaikuad A, Howell S, Dunn AS, Beltran AA, Smith JL, Drewry DH, Beltran AS, Axtman AD.Sci Rep. 2023 Apr 14;13(1):6118. doi: 10.1038/s41598-023-32854-4.PMID: 37059819

Discovery of Nanomolar DCAF1 Small Molecule Ligands. Li ASM, Kimani S, Wilson B, Noureldin M, González-Álvarez H, Mamai A, Hoffer L, Guilinger JP, Zhang Y, von Rechenberg M, Disch JS, Mulhern CJ, Slakman BL, Cuozzo JW, Dong A, Poda G, Mohammed M, Saraon P, Mittal M, Modh P, Rathod V, Patel B, Ackloo S, Santhakumar V, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Marcellus R, Guié MA, Keefe AD, Brown PJ, Halabelian L, Al-Awar R, Vedadi M.J Med Chem. 2023 Apr 13;66(7):5041-5060. doi: 10.1021/acs.jmedchem.2c02132. Epub 2023 Mar 22.PMID: 36948210

Discovery of a Potent and Selective Targeted NSD2 Degrader for the Reduction of H3K36me2. Hanley RP, Nie DY, Tabor JR, Li F, Sobh A, Xu C, Barker NK, Dilworth D, Hajian T, Gibson E, Szewczyk MM, Brown PJ, Barsyte-Lovejoy D, Herring LE, Wang GG, Licht JD, Vedadi M, Arrowsmith CH, James LI.J Am Chem Soc. 2023 Apr 12;145(14):8176-8188. doi: 10.1021/jacs.3c01421. Epub 2023 Mar 28.PMID: 36976643

Development of Cell Permeable NanoBRET Probes for the Measurement of PLK1 Target Engagement in Live Cells. Yang X, Smith JL, Beck MT, Wilkinson JM, Michaud A, Vasta JD, Robers MB, Willson TM. Molecules. 2023 Mar 25;28(7):2950. doi: 10.3390/molecules28072950.PMID: 37049713

PROTAC Linkerology Leads to an Optimized Bivalent Chemical Degrader of Polycomb Repressive Complex 2 (PRC2) Components. Bashore FM, Foley CA, Ong HW, Rectenwald JM, Hanley RP, Norris-Drouin JL, Cholensky SH, Mills CA, Pearce KH, Herring LE, Kireev D, Frye SV, James LI.ACS Chem Biol. 2023 Mar 17;18(3):494-507. doi: 10.1021/acschembio.2c00804. Epub 2023 Mar 6.PMID: 36877831

Target 2035 – an update on private sector contributions. Ackloo S, Antolin AA, Bartolome JM, Beck H, Bullock A, Betz UAK, Böttcher J, Brown PJ, Chaturvedi M, Crisp A, Daniels D, Dreher J, Edfeldt K, Edwards AM, Egner U, Elkins J, Fischer C, Glendorf T, Goldberg S, Hartung IV, Hillisch A, Homan E, Knapp S, Köster M, Krämer O, Llaveria J, Lessel U, Lindemann S, Linderoth L, Matsui H, Michel M, Montel F, Mueller-Fahrnow A, Müller S, Owen DR, Saikatendu KS, Santhakumar V, Sanderson W, Scholten C, Schapira M, Sharma S, Shireman B, Sundström M, Todd MH, Tredup C, Venable J, Willson TM, Arrowsmith CH.RSC Med Chem. 2023 Mar 16;14(6):1002-1011. doi: 10.1039/d2md00441k. eCollection 2023 Jun 22.PMID: 37360399

Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2. Davis-Gilbert ZW, Krämer A, Dunford JE, Howell S, Senbabaoglu F, Wells CI, Bashore FM, Havener TM, Smith JL, Hossain MA, Oppermann U, Drewry DH, Axtman AD.ACS Med Chem Lett. 2023 Mar 14;14(4):432-441. doi: 10.1021/acsmedchemlett.2c00530. eCollection 2023 Apr 13.PMID: 37077385

Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin-Specific Protease USP21. Göricke F, Vu V, Smith L, Scheib U, Böhm R, Akkilic N, Wohlfahrt G, Weiske J, Bömer U, Brzezinka K, Lindner N, Lienau P, Gradl S, Beck H, Brown PJ, Santhakumar V, Vedadi M, Barsyte-Lovejoy D, Arrowsmith CH, Schmees N, Petersen K.J Med Chem. 2023 Mar 9;66(5):3431-3447. doi: 10.1021/acs.jmedchem.2c01933. Epub 2023 Feb 20.PMID: 36802665

Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore. Ong HW, Truong A, Kwarcinski F, de Silva C, Avalani K, Havener TM, Chirgwin M, Galal KA, Willis C, Krämer A, Liu S, Knapp S, Derbyshire ER, Zutshi R, Drewry DH. Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore. Eur J Med Chem. 2023 Mar 5;249:115043. doi: 10.1016/j.ejmech.2022.115043. Epub 2022 Dec 30. PMID: 36736152.

A Potent and Selective CDKL5/GSK3 Chemical Probe is Neuroprotective. Ong HW, Liang Y, Richardson W, Lowry ER, Wells CI, Chen X, Silvestre M, Dempster K, Silvaroli JA, Smith JL, Wichterle H, Pabla NS, Ultanir SK, Bullock AN, Drewry DH, Axtman AD. bioRxiv [Preprint]. 2023 Feb 10:2023.02.09.527935. doi: 10.1101/2023.02.09.527935. PMID: 36798313; PMCID: PMC9934649.

SGC-CAMKK2-1: A Chemical Probe for CAMKK2. Cells. Wells C, Liang Y, Pulliam TL, Lin C, Awad D, Eduful B, O’Byrne S, Hossain MA, Catta-Preta CMC, Ramos PZ, Gileadi O, Gileadi C, Couñago RM, Stork B, Langendorf CG, Nay K, Oakhill JS, Mukherjee D, Racioppi L, Means AR, York B, McDonnell DP, Scott JW, Frigo DE, Drewry DH. 2023 Jan 11;12(2):287. doi: 10.3390/cells12020287. PMID: 36672221; PMCID: PMC9856672.

2022

Identification of Novel 2,4,5-Trisubstituted Pyrimidines as Potent Dual Inhibitors of Plasmodial PfGSK3/PfPK6 with Activity against Blood Stage Parasites In Vitro. Galal KA, Truong A, Kwarcinski F, de Silva C, Avalani K, Havener TM, Chirgwin ME, Merten E, Ong HW, Willis C, Abdelwaly A, Helal MA, Derbyshire ER, Zutshi R, Drewry DH. J Med Chem. 2022 Oct 13;65(19):13172-13197. doi: 10.1021/acs.jmedchem.2c00996. Epub 2022 Sep 27. PMID: 36166733; PMCID: PMC9574854.

Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds. Korshunova M, Huang N, Capuzzi S, Radchenko DS, Savych O, Moroz YS, Wells CI, Willson TM, Tropsha A, Isayev O. Commun Chem. 2022 Oct 18;5(1):129. doi: 10.1038/s42004-022-00733-0. PMID: 36697952; PMCID: PMC9814657.

Identification and Utilization of a Chemical Probe to Interrogate the Roles of PIKfyve in the Lifecycle of β-Coronaviruses. Drewry DH, Potjewyd FM, Bayati A, Smith JL, Dickmander RJ, Howell S, Taft-Benz S, Min SM, Hossain MA, Heise M, McPherson PS, Moorman NJ, Axtman AD. J Med Chem. 2022 Oct 13;65(19):12860-12882. doi: 10.1021/acs.jmedchem.2c00697. Epub 2022 Sep 16. PMID: 36111834; PMCID: PMC9574855.

Host Kinase CSNK2 is a Target for Inhibition of Pathogenic SARS-like β-Coronaviruses. Yang X, Dickmander RJ, Bayati A, Taft-Benz SA, Smith JL, Wells CI, Madden EA, Brown JW, Lenarcic EM, Yount BL Jr, Chang E, Axtman AD, Baric RS, Heise MT, McPherson PS, Moorman NJ, Willson TM. ACS Chem Biol. 2022 Jul 15;17(7):1937-1950. doi: 10.1021/acschembio.2c00378. Epub 2022 Jun 19. PMID: 35723434; PMCID: PMC9236220.

Temozolomide-induced guanine mutations create exploitable vulnerabilities of guanine-rich DNA and RNA regions in drug-resistant gliomas. Tiek DM, Erdogdu B, Razaghi R, Jin L, Sadowski N, Alamillo-Ferrer C, Hogg JR, Haddad BR, Drewry DH, Wells CI, Pickett JE, Song X, Goenka A, Hu B, Goldlust SA, Zuercher WJ, Pertea M, Timp W, Cheng SY, Riggins RB. Sci Adv. 2022 Jun 24;8(25):eabn3471. doi: 10.1126/sciadv.abn3471. Epub 2022 Jun 22. PMID: 35731869; PMCID: PMC9216507.

Identification of 4-Anilinoquin(az)oline as a Cell-Active Protein Kinase Novel 3 (PKN3) Inhibitor Chemotype. Asquith CRM, Temme L, East MP, Laitinen T, Pickett J, Kwarcinski FE, Sinha P, Wells CI, Johnson GL, Zutshi R, Drewry DH. ChemMedChem. 2022 Jun 20;17(12):e202200161. doi: 10.1002/cmdc.202200161. Epub 2022 May 9. PMID: 35403825; PMCID: PMC9233141.

Expression of Novel Kinase MAP3K19 in Various Cancers and Survival Correlations. Nguyen K, Yousefi H, Cheng T, Magrath J, Hartono AB, Alzoubi M, Hebert K, Brock CK, Wright MK, Byrne CE, Rivera A, Okpechi SC, Matossian MD, Wathieu H, Elliott S, Mondrinos MJ, Lee SB, Collins-Burow BM, Alahari SK, Drewry DH, Burow ME. Front Biosci (Landmark Ed). 2022 Jun 17;27(6):196. doi: 10.31083/j.fbl2706196. PMID: 35748272.

Evaluation of a Selective Chemical Probe Validates That CK2 Mediates Neuroinflammation in a Human Induced Pluripotent Stem Cell-Derived Mircroglial Model. Mishra S, Kinoshita C, Axtman AD, Young JE. Front Mol Neurosci. 2022 Jun 14;15:824956. doi: 10.3389/fnmol.2022.824956. PMID: 35774866; PMCID: PMC9239073.

A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3-d]pyrimidine Core. Sammeta VR, Norris JD, Artham S, Torrice CD, Byemerwa J, Joiner C, Fanning SW, McDonnell DP, Willson TM. ACS Med Chem Lett. 2022 Jun 10;13(7):1151-1158. doi: 10.1021/acsmedchemlett.2c00180. PMID: 35859859; PMCID: PMC9290010.

Protein proximity networks and functional evaluation of the casein kinase 1 gamma family reveal unique roles for CK1γ3 in WNT signaling. Agajanian MJ, Potjewyd FM, Bowman BM, Solomon S, LaPak KM, Bhatt DP, Smith JL, Goldfarb D, Axtman AD, Major MB. J Biol Chem. 2022 Jun;298(6):101986. doi: 10.1016/j.jbc.2022.101986. Epub 2022 Apr 27. PMID: 35487243; PMCID: PMC9157009.

MAP3K Family Review and Correlations with Patient Survival Outcomes in Various Cancer Types. Nguyen K, Tran MN, Rivera A, Cheng T, Windsor GO, Chabot AB, Cavanaugh JE, Collins-Burow BM, Lee SB, Drewry DH, Flaherty PT, Burow ME. Front Biosci (Landmark Ed). 2022 May 23;27(5):167. doi: 10.31083/j.fbl2705167. PMID: 35638434.

Protein proximity networks and functional evaluation of the Casein Kinase 1 γ family reveal unique roles for CK1γ3 in WNT signaling. Agajanian MJ, Potjewyd FM, Bowman BM, Solomon S, LaPak KM, Bhatt DP, Smith JL, Goldfarb D, Axtman AD, Major MB.J Biol Chem. 2022 Apr 26:101986. doi: 10.1016/j.jbc.2022.101986. Online ahead of print.PMID: 35487243

Salt-Inducible Kinase 1 is a potential therapeutic target in Desmoplastic Small Round Cell Tumor. Hartono AB, Kang HJ, Shi L, Phipps W, Ungerleider N, Giardina A, Chen W, Spraggon L, Somwar R, Moroz K, Drewry DH, Burow ME, Flemington E, Ladanyi M, Lee SB.Oncogenesis. 2022 Apr 20;11(1):18. doi: 10.1038/s41389-022-00395-6.PMID: 35443736

AD Informer Set: Chemical tools to facilitate Alzheimer’s disease drug discovery. Potjewyd FM, Annor-Gyamfi JK, Aubé J, Chu S, Conlon IL, Frankowski KJ, Guduru SKR, Hardy BP, Hopkins MD, Kinoshita C, Kireev DB, Mason ER, Moerk CT, Nwogbo F, Pearce KH, Richardson TI, Rogers DA, Soni DM, Stashko M, Wang X, Wells C, Willson TM, Frye SV, Young JE, Axtman AD.Alzheimers Dement (N Y). 2022 Apr 20;8(1):e12246. doi: 10.1002/trc2.12246. eCollection 2022.PMID: 35475262

Use of AD Informer Set compounds to explore validity of novel targets in Alzheimer’s disease pathology. Potjewyd FM, Annor-Gyamfi JK, Aubé J, Chu S, Conlon IL, Frankowski KJ, Guduru SKR, Hardy BP, Hopkins MD, Kinoshita C, Kireev DB, Mason ER, Moerk CT, Nwogbo F, Pearce KH Jr, Richardson TI, Rogers DA, Soni DM, Stashko M, Wang X, Wells C, Willson TM, Frye SV, Young JE, Axtman AD.Alzheimers Dement (N Y). 2022 Apr 12;8(1):e12253. doi: 10.1002/trc2.12253. eCollection 2022.PMID: 35434254

Identification of 4-Anilinoquin(az)oline as a Cell-Active Protein Kinase Novel 3 (PKN3) Inhibitor Chemotype. Asquith CRM, Temme L, East MP, Laitinen T, Pickett J, Kwarcinski FE, Sinha P, Wells CI, Johnson GL, Zutshi R, Drewry DH.ChemMedChem. 2022 Apr 11:e202200161. doi: 10.1002/cmdc.202200161. Online ahead of print.PMID: 35403825

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding. Ackloo S, Al-Awar R, Amaro RE, Arrowsmith CH, Azevedo H, Batey RA, Bengio Y, Betz UAK, Bologa CG, Chodera JD, Cornell WD, Dunham I, Ecker GF, Edfeldt K, Edwards AM, Gilson MK, Gordijo CR, Hessler G, Hillisch A, Hogner A, Irwin JJ, Jansen JM, Kuhn D, Leach AR, Lee AA, Lessel U, Morgan MR, Moult J, Muegge I, Oprea TI, Perry BG, Riley P, Rousseaux SAL, Saikatendu KS, Santhakumar V, Schapira M, Scholten C, Todd MH, Vedadi M, Volkamer A, Willson TM. Nat Rev Chem. 2022 Apr;6(4):287-295. doi: 10.1038/s41570-022-00363-z. Epub 2022 Feb 15. PMID: 35783295; PMCID: PMC9246350.

NUAK family kinase 2 is a novel therapeutic target for prostate cancer. Fu W, Zhao MT, Driver LM, Schirmer AU, Yin Q, You S, Freedland SJ, DiGiovanni J, Drewry DH, Macias E.Mol Carcinog. 2022 Mar;61(3):334-345. doi: 10.1002/mc.23374. Epub 2021 Nov 24.PMID: 34818445

Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration. Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer V, Preuss F, Mathea S, Axtman AD.J Med Chem. 2022 Jan 27;65(2):1313-1328. doi: 10.1021/acs.jmedchem.1c00440. Epub 2021 Aug 1.PMID: 34333981

Host kinase CSNK2 is a target for inhibition of pathogenic β-coronaviruses including SARS-CoV-2. Yang X, Dickmander RJ, Bayati A, Taft-Benz SA, Smith JL, Wells CI, Madden EA, Brown JW, Lenarcic EM, Yount BL, Chang E, Axtman AD, Baric RS, Heise MT, McPherson PS, Moorman NJ, Willson TM.bioRxiv. 2022 Jan 26:2022.01.03.474779. doi: 10.1101/2022.01.03.474779. Preprint.PMID: 35018375

Non-canonical role of Hippo tumor suppressor serine/threonine kinase 3 STK3 in prostate cancer. Schirmer AU, Driver LM, Zhao MT, Wells CI, Pickett JE, O’Bryne SN, Eduful BJ, Yang X, Howard L, You S, Devi GR, DiGiovanni J, Freedland SJ, Chi JT, Drewry DH, Macias E.Mol Ther. 2022 Jan 5;30(1):485-500. doi: 10.1016/j.ymthe.2021.08.029. Epub 2021 Aug 25.PMID: 34450249

2021

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes. Eduful BJ, O’Byrne SN, Temme L, Asquith CRM, Liang Y, Picado A, Pilotte JR, Hossain MA, Wells CI, Zuercher WJ, Catta-Preta CMC, Zonzini Ramos P, Santiago AS, Couñago RM, Langendorf CG, Nay K, Oakhill JS, Pulliam TL, Lin C, Awad D, Willson TM, Frigo DE, Scott JW, Drewry DH. J Med Chem. 2021 Jul 15. doi: 10.1021/acs.jmedchem.0c02274. Online ahead of print. PMID: 34264658

NEK5 activity regulates the mesenchymal and migratory phenotype in breast cancer cells. Matossian MD, Elliott S, Van Hoang T, Burks HE, Wright MK, Alzoubi MS, Yan T, Chang T, Wathieu H, Windsor GO, Hartono AB, Lee S, Zuercher WJ, Drewry DH, Wells C, Kapadia N, Buechlein A, Fang F, Nephew KP, Collins-Burow BM, Burow ME. Breast Cancer Res Treat. 2021 Aug;189(1):49-61. doi: 10.1007/s10549-021-06295-4. Epub 2021 Jul 1. PMID: 34196902

Crowdsourced mapping of unexplored target space of kinase inhibitors. Cichońska A, Ravikumar B, Allaway RJ, Wan F, Park S, Isayev O, Li S, Mason M, Lamb A, Tanoli Z, Jeon M, Kim S, Popova M, Capuzzi S, Zeng J, Dang K, Koytiger G, Kang J, Wells CI, Willson TM; IDG-DREAM Drug-Kinase Binding Prediction Challenge Consortium, Oprea TI, Schlessinger A, Drewry DH, Stolovitzky G, Wennerberg K, Guinney J, Aittokallio T. Nat Commun. 2021 Jun 3;12(1):3307. doi: 10.1038/s41467-021-23165-1. PMID: 34083538

Towards a RIOK2 chemical probe: cellular potency improvement of a selective 2-(acylamino)pyridine series. Wang CB, Lorente-Macías Á, Wells C, Pickett JE, Picado A, Zuercher WJ, Axtman AD. RSC Med Chem. 2020 Nov 11;12(1):129-136. doi: 10.1039/d0md00292e. eCollection 2021 Jan 1. PMID: 34046605

Application of a small molecule inhibitor screen approach to identify CXCR4 downstream signaling pathways that promote a mesenchymal and fulvestrant-resistant phenotype in breast cancer cells. Matossian MD, Elliott S, Rhodes LV, Martin EC, Hoang VT, Burks HE, Zuercher WJ, Drewry DH, Collins-Burow BM, Burow ME. Oncol Lett. 2021 May;21(5):380. doi: 10.3892/ol.2021.12641. Epub 2021 Mar 16. PMID: 33777204

Targeting Never-In-Mitosis-A Related Kinase 5 in Cancer: A Review. Matossian MD, Wells CI, Zuercher WJ, Collins-Burow BM, Drewry DH, Burow ME. Curr Med Chem. 2021 Mar 21. doi: 10.2174/0929867328666210322101749. Online ahead of print. PMID: 33749548

Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Wells CI, Drewry DH, Pickett JE, Tjaden A, Krämer A, Müller S, Gyenis L, Menyhart D, Litchfield DW, Knapp S, Axtman AD. Cell Chem Biol. 2021 Apr 15;28(4):546-558.e10. doi: 10.1016/j.chembiol.2020.12.013. Epub 2021 Jan 22. PMID: 33484635

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification. Wells CI, Al-Ali H, Andrews DM, Asquith CRM, Axtman AD, Dikic I, Ebner D, Ettmayer P, Fischer C, Frederiksen M, Futrell RE, Gray NS, Hatch SB, Knapp S, Lücking U, Michaelides M, Mills CE, Müller S, Owen D, Picado A, Saikatendu KS, Schröder M, Stolz A, Tellechea M, Turunen BJ, Vilar S, Wang J, Zuercher WJ, Willson TM, Drewry DH. Int J Mol Sci. 2021 Jan 8;22(2):566. doi: 10.3390/ijms22020566. PMID: 33429995

2020 Preprint

SGC-CK2-1: The First Selective Chemical Probe for the Pleiotropic Kinase CK2. Wells, Carrow; Drewry, David; Pickett, Julie E.; Axtman, Alison D. 2020: ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.12296180.v2

2020

Identification and Optimization of cell active 4-anilino-quin(az)oline Inhibitors for Protein Kinase Novel 3 (PKN3) Christopher R. M. Asquith, Louisa Temme, Tuomo Laitinen, Julie Pickett, Frank E. Kwarcinski, Parvathi Sinha, Carrow I. Wells, Graham J. Tizzard, Reena Zutshi, David H. Drewry bioRxiv 2020.03.02.972943; doi: https://doi.org/10.1101/2020.03.02.972943

Cyclin F-Chk1 synthetic lethality mediated by E2F1 degradation Kamila Burdova, Hongbin Yang, Roberta Faedda, Samuel Hume, Daniel Ebner, Benedikt M Kessler, Iolanda Vendrell, David H Drewry, Carrow I Wells, Stephanie B Hatch, Vincenzo D’Angiolella bioRxiv 509810; doi: https://doi.org/10.1101/509810

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. Picado A, Chaikuad A, Wells CI, Shrestha S, Zuercher WJ, Pickett JE, Kwarcinski FE, Sinha P, de Silva CS, Zutshi R, Liu S, Kannan N, Knapp S, Drewry DH, Willson TM.J Med Chem. 2020 Dec 10;63(23):14626-14646. doi: 10.1021/acs.jmedchem.0c01174. Epub 2020 Nov 20.PMID: 33215924

PKIS deep dive yields a chemical starting point for dark kinases and a cell active BRSK2 inhibitor. Tamir TY, Drewry DH, Wells C, Major MB, Axtman AD.Sci Rep. 2020 Sep 28;10(1):15826. doi: 10.1038/s41598-020-72869-9.PMID: 32985588 Free PMC article.

Concise, gram-scale synthesis of furo[2,3-b]pyridines with functional handles for chemoselective cross-coupling. O’Byrne SN, Eduful BJ, Willson TM, Drewry DH.Tetrahedron Lett. 2020 Sep 17;61(38):152353. doi: 10.1016/j.tetlet.2020.152353. Epub 2020 Aug 16.PMID: 33012852

Defining the Neural Kinome: Strategies and Opportunities for Small Molecule Drug Discovery to Target Neurodegenerative Diseases. Krahn AI, Wells C, Drewry DH, Beitel LK, Durcan TM, Axtman AD.ACS Chem Neurosci. 2020 Jul 1;11(13):1871-1886. doi: 10.1021/acschemneuro.0c00176. Epub 2020 Jun 11.PMID: 32464049

Quantifying CDK inhibitor selectivity in live cells. Wells CI, Vasta JD, Corona CR, Wilkinson J, Zimprich CA, Ingold MR, Pickett JE, Drewry DH, Pugh KM, Schwinn MK, Hwang BB, Zegzouti H, Huber KVM, Cong M, Meisenheimer PL, Willson TM, Robers MB.Nat Commun. 2020 Jun 2;11(1):2743. doi: 10.1038/s41467-020-16559-0.PMID: 32488087 Free PMC article.

In Depth Analysis of Kinase Cross Screening Data to Identify CAMKK2 Inhibitory Scaffolds. O’Byrne SN, Scott JW, Pilotte JR, Santiago ADS, Langendorf CG, Oakhill JS, Eduful BJ, Couñago RM, Wells CI, Zuercher WJ, Willson TM, Drewry DH.Molecules. 2020 Jan 13;25(2):325. doi: 10.3390/molecules25020325.PMID: 31941153 Free PMC article.

2019

E2F1 proteolysis via SCF-cyclin F underlies synthetic lethality between cyclin F loss and Chk1 inhibition. Burdova K, Yang H, Faedda R, Hume S, Chauhan J, Ebner D, Kessler BM, Vendrell I, Drewry DH, Wells CI, Hatch SB, Dianov GL, Buffa FM, D’Angiolella V. EMBO J. 2019 Oct 15;38(20):e101443. doi: 10.15252/embj.2018101443. Epub 2019 Aug 19. PMID: 31424118; PMCID: PMC6792013.

E2F1 proteolysis via SCF-cyclin F underlies synthetic lethality between cyclin F loss and Chk1 inhibition. Burdova K, Yang H, Faedda R, Hume S, Chauhan J, Ebner D, Kessler BM, Vendrell I, Drewry DH, Wells CI, Hatch SB, Dianov GL, Buffa FM, D’Angiolella V. EMBO J. 2019 Aug 19:e101443. doi: 10.15252/embj.2018101443. [Epub ahead of print] PMID: 31424118

CaMKK2 in myeloid cells is a key regulator of the immune-suppressive microenvironment in breast cancer. Racioppi L, Nelson ER, Huang W, Mukherjee D, Lawrence SA, Lento W, Masci AM, Jiao Y, Park S, York B, Liu Y, Baek AE, Drewry DH, Zuercher WJ, Bertani FR, Businaro L, Geradts J, Hall A, Means AR, Chao N, Chang CY, McDonnell DP. Nat Commun. 2019 Jun 4;10(1):2450. doi: 10.1038/s41467-019-10424-5. PMID: 31164648. PMCID: PMC6547743

CDK16: the pick of the understudied PCTAIRE kinases. Alison Axtman, David Drewry & Carrow Wells. Nature. 2019 May 21. doi: 10.1038/d41573-019-00076-x

Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma. Asquith CRM, Naegeli KM, East MP, Laitinen T, Havener TM, Wells CI, Johnson GL, Drewry DH, Zuercher WJ, Morris DC. J Med Chem. 2019 Apr 19. doi:10.1021/acs.jmedchem.9b00350. [Epub ahead of print] PMID: 30973735

SGC-GAK-1: A Chemical Probe for Cyclin G Associated Kinase (GAK) Asquith CRM, Berger BT, Wan J, Bennett JM, Capuzzi SJ, Crona DJ, Drewry DH, East MP, Elkins JM, Fedorov O, Godoi PH, Hunter DM, Knapp S, Müller S, Torrice CD, Wells CI, Earp HS, Willson TM, Zuercher WJ. J Med Chem. 2019 Mar 14;62(5):2830-2836. doi:10.1021/acs.jmedchem.8b01213. Epub 2019 Feb 26. PMID: 30768268

WNT Activates the AAK1 Kinase to Promote Clathrin-Mediated Endocytosis of LRP6 and Establish a Negative Feedback Loop. Agajanian MJ, Walker MP, Axtman AD, Ruela-de-Sousa RR, Serafin DS, Rabinowitz AD, Graham DM, Ryan MB, Tamir T, Nakamichi Y, Gammons MV, Bennett JM, Couñago RM, Drewry DH, Elkins JM, Gileadi C, Gileadi O, Godoi PH, Kapadia N, Müller S, Santiago AS, Sorrell FJ, Wells CI, Fedorov O, Willson TM, Zuercher WJ, Major MB.Cell Rep. 2019 Jan 2;26(1):79-93.e8. doi: 10.1016/j.celrep.2018.12.023. PMID: 30605688

2018

Highly Selective MERTK Inhibitors Achieved by a Single Methyl Group Zhao J, Zhang D, Zhang W, Stashko MA, DeRyckere D, Vasileiadi E, Parker RE, Hunter D, Liu Q, Zhang Y, Norris-Drouin J, Li B, Drewry DH, Kireev D, Graham DK, Earp HS, Frye SV, Wang X. J Med Chem. 2018 Nov 21;61(22):10242-10254. doi: 10.1021/acs.jmedchem.8b01229. Epub 2018 Nov 5. PMID: 3034715

Covalent inhibitors of EGFR family protein kinases induce degradation of human Tribbles 2 (TRIB2) pseudokinase in cancer cells. Foulkes DM, Byrne DP, Yeung W, Shrestha S, Bailey FP, Ferries S, Eyers CE, Keeshan K, Wells C, Drewry DH, Zuercher WJ, Kannan N, Eyers PA. Sci Signal. 2018 Sep 25;11(549). pii: eaat7951. doi: 10.1126/scisignal.aat7951. PMID: 30254057. PMCID: PMC6553640

New tools for carbohydrate sulphation analysis: Heparan Sulphate 2- O -sulphotransferase (HS2ST) is a target for small molecule protein kinase inhibitors. Byrne DP, Li Y, Ramakrishnan K, Barsukov IL, Yates EA, Eyers CE, Papy-Garcia D, Chantepie S, Pagadala V, Lu J, Wells C, Drewry DH, Zuercher WJ, Berry NG, Fernig DG, Eyers PA. Biochem J. 2018 Jun 22. pii: BCJ20180265. doi: 10.1042/BCJ20180265. [Epub ahead of print] PMID: 29934491

New tools for evaluating protein tyrosine sulphation: Tyrosyl Protein Sulphotransferases (TPSTs) are novel targets for RAF protein kinase inhibitors. Byrne DP, Li Y, Ngamlert P, Ramakrishnan K, Eyers CE, Wells C, Drewry DH, Zuercher WJ, Berry NG, Fernig DG, Eyers PA. Biochem J. 2018 Jun 22. pii: BCJ20180266. doi: 10.1042/BCJ20180266. [Epub ahead of print] PMID: 29934490

1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors. Asquith CRM, Godoi PH, Couñago RM, Laitinen T, Scott JW, Langendorf CG, Oakhill JS, Drewry DH, Zuercher WJ, Koutentis PA, Willson TM, Kalogirou AS. Molecules. 2018 May 19;23(5). pii: E1221. doi: 10.3390/molecules23051221. PMID: 29783765

Application of Integrated Drug Screening/Kinome Analysis to Identify Inhibitors of Gemcitabine-Resistant Pancreatic Cancer Cell Growth. Krulikas LJ, McDonald IM, Lee B, Okumu DO, East MP, Gilbert TSK, Herring LE, Golitz BT, Wells CI, Axtman AD, Zuercher WJ, Willson TM, Kireev D, Yeh JJ, Johnson GL, Baines AT, Graves LM. SLAS Discov. 2018 May 1:2472555218773045. doi: 10.1177/2472555218773045. [Epub ahead of print] PMID: 29742358

Donated chemical probes for open science. Müller S, Ackloo S, Arrowsmith CH, Bauser M, Baryza JL, Blagg J, Böttcher J, Bountra C, Brown PJ, Bunnage ME, Carter AJ, Damerell D, Dötsch V, Drewry DH, Edwards AM, Edwards J, Elkins JM, Fischer C, Frye SV, Gollner A, Grimshaw CE, IJzerman A, Hanke T, Hartung IV, Hitchcock S, Howe T, Hughes TV, Laufer S, Li VM, Liras S, Marsden BD, Matsui H, Mathias J, O’Hagan RC, Owen DR, Pande V, Rauh D, Rosenberg SH, Roth BL, Schneider NS, Scholten C, Singh Saikatendu K, Simeonov A, Takizawa M, Tse C, Thompson PR, Treiber DK, Viana AY, Wells CI, Willson TM, Zuercher WJ, Knapp S, Mueller-Fahrnow A. Elife. 2018 Apr 20;7. pii: e34311. doi: 10.7554/eLife.34311. PMID: 29676732

Quantitative, Wide-Spectrum Kinase Profiling in Live Cells for Assessing the Effect of Cellular ATP on Target Engagement. Vasta JD, Corona CR, Wilkinson J, Zimprich CA, Hartnett JR, Ingold MR, Zimmerman K, Machleidt T, Kirkland TA, Huwiler KG, Ohana RF, Slater M, Otto P, Cong M, Wells CI, Berger BT, Hanke T, Glas C, Ding K, Drewry DH, Huber KVM, Willson TM, Knapp S, Müller S, Meisenheimer PL, Fan F, Wood KV, Robers MB. Cell Chem Biol. 2018 Feb 15;25(2):206-214.e11. doi: 10.1016/j.chembiol.2017.10.010. Epub 2017 Nov 22. PMID: 29174542

Identification and Optimization of 4-Anilinoquinolines as Inhibitors of Cyclin G Associated Kinase. Asquith CRM, Laitinen T, Bennett JM, Godoi PH, et al.ChemMedChem. 2018 Jan 8;13(1):48-66. doi: 10.1002/cmdc.201700663. Epub 2017 Nov 27.PMID: 29072804

2017

A screen for kinase inhibitors identifies antimicrobial imidazopyridine aminofurazans as specific inhibitors of the Listeria monocytogenes PASTA kinase PrkA. Schaenzer AJ, Wlodarchak N, Drewry DH, Zuercher WJ, Rose WE, Striker R, Sauer JD. J Biol Chem. 2017 Oct 13;292(41):17037-17045. doi: 10.1074/jbc.M117.808600. Epub 2017 Aug 16. PMID: 28821610

Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Couñago RM, Allerston CK, Savitsky P, Azevedo H, Godoi PH, Wells CI, Mascarello A, de Souza Gama FH, Massirer KB, Zuercher WJ, Guimarães CRW, Gileadi O. Sci Rep. 2017 Aug 8;7(1):7501. doi: 10.1038/s41598-017-07755-y. PMID: 28790404

Novel application of the published kinase inhibitor set to identify therapeutic targets and pathways in triple negative breast cancer subtypes. Matossian MD, Elliott S, Hoang VT, Burks HE, Phamduy TB, Chrisey DB, Zuercher WJ, Drewry DH, Wells C, Collins-Burow B, Burow ME. PLoS One. 2017 Aug 3;12(8):e0177802. doi: 10.1371/journal.pone.0177802. eCollection 2017. PMID: 28771473

Progress towards a public chemogenomic set for protein kinases and a call for contributions. Drewry DH, Wells CI, Andrews DM, Angell R, Al-Ali H, Axtman AD, Capuzzi SJ, Elkins JM, Ettmayer P, Frederiksen M, Gileadi O, Gray N, Hooper A, Knapp S, Laufer S, Luecking U, Michaelides M, Müller S, Muratov E, Denny RA, Saikatendu KS, Treiber DK, Zuercher WJ, Willson TM. PLoS One. 2017 Aug 2;12(8):e0181585. doi: 10.1371/journal.pone.0181585. eCollection 2017. PMID: 28767711 https://doi.org/10.1371/journal.pone.0181585

A trust approach for sharing research reagents. Edwards A, Morgan M, Al Chawaf A, Andrusiak K, Charney R, Cynader Z, ElDessouki A, Lee Y, Moeser A, Stern S, Zuercher WJ. Sci Transl Med. 2017 May 31;9(392). pii: eaai9055. doi: 10.1126/scitranslmed.aai9055. Review. PMID: 28566431

High-throughput screening of a GlaxoSmithKline protein kinase inhibitor set identifies an inhibitor of human cytomegalovirus replication that prevents CREB and histone H3 post-translational modification. Khan AS, Murray MJ, Ho CMK, Zuercher WJ, Reeves MB, Strang BL.J Gen Virol. 2017 Apr;98(4):754-768. doi: 10.1099/jgv.0.000713. Epub 2017 Apr 20. PMID: 28100301

Discovery and structure activity relationship of the first potent cryptosporidium FIKK kinase inhibitor. Osman KT, Ye J, Shi Z, Toker C, Lovato D, Jumani RS, Zuercher W, Huston CD, Edwards AM, Lautens M, Santhakumar V, Hui R. Bioorg Med Chem. 2017 Mar 1;25(5):1672-1680. doi: 10.1016/j.bmc.2017.01.036. Epub 2017 Jan 24. PMID: 28162900

2016

EGFR inhibitors identified as a potential treatment for chordoma in a focused compound screen. Scheipl S, Barnard M, Cottone L, Jorgensen M, Drewry DH, Zuercher WJ, Turlais F, Ye H, Leite AP, Smith JA, Leithner A, Möller P, Brüderlein S, Guppy N, Amary F, Tirabosco R, Strauss SJ, Pillay N, Flanagan AM. J Pathol. 2016 Jul;239(3):320-34. doi: 10.1002/path.4729. Epub 2016 May 31. PMID: 27102572

Using a Genetically Encoded Sensor to Identify Inhibitors of Toxoplasma gondii Ca2+ Signaling. Sidik SM, Hortua Triana MA, Paul AS, El Bakkouri M, Hackett CG, Tran F, Westwood NJ, Hui R, Zuercher WJ, Duraisingh MT, Moreno SN, Lourido S. J Biol Chem. 2016 Apr 29;291(18):9566-80. doi: 10.1074/jbc.M115.703546. Epub 2016 Mar 1. PMID: 26933036

Identification of small molecule inhibitors that block the Toxoplasma gondii rhoptry kinase ROP18. Simpson C, Jones NG, Hull-Ryde EA, Kireev D, Stashko M, Tang K, Janetka J, Wildman SA, Zuercher WJ, Schapira M, Hui R, Janzen W, Sibley LD. ACS Infect Dis. 2016 Mar 11;2(3):194-206. Epub 2015 Dec 28. PMID: 27379343

The Intersection of Structural and Chemical Biology – An Essential Synergy. Zuercher WJ, Elkins JM, Knapp S. Cell Chem Biol. 2016 Jan 21;23(1):173-182. doi: 10.1016/j.chembiol.2015.12.005. Review. PMID: 26933743

Structure-Bioactivity Relationship for Benzimidazole Thiophene Inhibitors of Polo-Like Kinase 1 (PLK1), a Potential Drug Target in Schistosoma mansoni. Long T, Neitz RJ, Beasley R, Kalyanaraman C, Suzuki BM, Jacobson MP, Dissous C, McKerrow JH, Drewry DH, Zuercher WJ, Singh R, Caffrey CR. PLoS Negl Trop Dis. 2016 Jan 11;10(1):e0004356. doi: 10.1371/journal.pntd.0004356. eCollection 2016 Jan. PMID: 26751972

Comprehensive characterization of the Published Kinase Inhibitor Set. Elkins JM, Fedele V, Szklarz M, Abdul Azeez KR, Salah E, Mikolajczyk J, Romanov S, Sepetov N, Huang XP, Roth BL, Al Haj Zen A, Fourches D, Muratov E, Tropsha A, Morris J, Teicher BA, Kunkel M, Polley E, Lackey KE, Atkinson FL, Overington JP, Bamborough P, Müller S, Price DJ, Willson TM, Drewry DH, Knapp S, Zuercher WJ. Nat Biotechnol. 2016 Jan;34(1):95-103. doi: 10.1038/nbt.3374. Epub 2015 Oct 26. PMID: 26501955

2015

Corrigendum: The promise and peril of chemical probes. Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O’Hagan RC, Overington JP, Owen DR, Rosenberg SH, Ross R, Roth B, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ. Nat Chem Biol. 2015 Nov;11(11):887. doi: 10.1038/nchembio1115-887c. No abstract available. PMID: 26485080

Rational Polypharmacology: Systematically Identifying and Engaging Multiple Drug Targets To Promote Axon Growth. Al-Ali H, Lee DH, Danzi MC, Nassif H, Gautam P, Wennerberg K, Zuercher B, Drewry DH, Lee JK, Lemmon VP, Bixby JL. ACS Chem Biol. 2015 Aug 21;10(8):1939-51. doi: 10.1021/acschembio.5b00289. Epub 2015 Jun 24. PMID: 26056718

The promise and peril of chemical probes. Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O’Hagan RC, Overington JP, Owen DR, Rosenberg SH, Roth B, Ross R, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ. Nat Chem Biol. 2015 Aug;11(8):536-41. doi: 10.1038/nchembio.1867. No abstract available. Erratum in: Nat Chem Biol. 2015 Nov;11(11):887. Nat Chem Biol. 2015 Aug;11(8):541. Roth, Brian [Corrected to Roth, Bryan] and Frederiksen, Mathias [Added]. PMID: 26196764

Transactivation Function-2 of Estrogen Receptor α Contains Transactivation Function-1-regulating Element. Arao Y, Coons LA, Zuercher WJ, Korach KS. J Biol Chem. 2015 Jul 10;290(28):17611-27. doi: 10.1074/jbc.M115.638650. Epub 2015 May 31. PMID: 26028650

2022

Exploring the kinase-inhibitor fragment interaction space facilitates the discovery of kinase inhibitor overcoming resistance by mutations. Wang ZZ, Wang MS, Wang F, Shi XX, Huang W, Hao GF, Yang GF. Brief Bioinform. 2022 Jun 2:bbac203. doi: 10.1093/bib/bbac203. Epub ahead of print. PMID: 35649390

Kinome-wide polypharmacology profiling of small molecules by multi-task graph isomorphism network approach. Bao Lingjie, Zhe Wang, Zhenxing Wu, Hao Luo, Jiahui Yu, Yu Kang, Dongsheng Cao, Tingjum Hou. Acta Pharmaceutica Sinica B, https://doi.org/10.1016/j.apsb.2022.05.004

Improving the Prediction of Potential Kinase Inhibitors with Feature Learning on Multisource Knowledge. Zhong, Y., Shen, C., Wu, H., Xu, T., Luo, L. Interdiscip Sci Comput Life Sci (2022). https://doi.org/10.1007/s12539-022-00523-1

Topographic mapping of the glioblastoma proteome reveals a triple-axis model of intra-tumoral heterogeneity. Lam KHB, Leon AJ, Hui W, Lee SC, Batruch I, Faust K, Klekner A, Hutóczki G, Koritzinsky M, Richer M, Djuric U, Diamandis P. Nat Commun. 2022 Jan 10;13(1):116. doi: 10.1038/s41467-021-27667-w. PMID: 35013227; PMCID: PMC8748638.

2021

Developments in the Discovery and Design of Protein Kinase D Inhibitors. Gilles P, Voets L, Van Lint J, De Borggraeve WM. ChemMedChem. 2021 Jul 20;16(14):2158-2171. doi: 10.1002/cmdc.202100110. Epub 2021 May 5. PMID: 33829655.

Crowdsourced mapping of unexplored target space of kinase inhibitors. Cichońska A, Ravikumar B, Allaway RJ, Wan F, Park S, Isayev O, Li S, Mason M, Lamb A, Tanoli Z, Jeon M, Kim S, Popova M, Capuzzi S, Zeng J, Dang K, Koytiger G, Kang J, Wells CI, Willson TM; IDG-DREAM Drug-Kinase Binding Prediction Challenge Consortium, Oprea TI, Schlessinger A, Drewry DH, Stolovitzky G, Wennerberg K, Guinney J, Aittokallio T., Nat Commun. 2021 Jun 3;12(1):3307. doi: 10.1038/s41467-021-23165-1. PMID: 34083538; PMCID: PMC8175708.

Reducing False Positives through the Application of Fluorescence Lifetime Technology: A Comparative Study Using TYK2 Kinase as a Model System. Greenhough LA, Clarke G, Phillipou AN, Mazani F, Karamshi B, Rowe S, Rowland P, Messenger C, Haslam CP, Bingham RP, Craggs PD. SLAS Discov. 2021 Jun;26(5):663-675. doi: 10.1177/24725552211002472. Epub 2021 Mar 30. PMID: 33783261

A survey of the kinome pharmacopeia reveals multiple scaffolds and targets for the development of novel anthelmintics. Knox J, Joly N, Linossi EM, Carmona-Negrón JA, Jura N, Pintard L, Zuercher W, Roy PJ. Sci Rep. 2021 Apr 28;11(1):9161. doi: 10.1038/s41598-021-88150-6. PMID: 33911106; PMCID: PMC8080662.

Illuminating a Dark Kinase: Structure-Guided Design, Synthesis, and Evaluation of a Potent Nek1 Inhibitor and Its Effects on the Embryonic Zebrafish Pronephros. Georg Baumann, Tobias Meckel, Kevin Böhm, Yung-Hsin Shih, Mirco Dickhaut, Torben Reichardt, Johannes Pilakowski, Ulrich Pehl, and Boris Schmidt. Journal of Medicinal Chemistry Web Publication date 2021 Mar 16. DOI: 10.1021/acs.jmedchem.0c02118.

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification. Wells CI, Al-Ali H, Andrews DM, Asquith CRM, Axtman AD, Dikic I, Ebner D, Ettmayer P, Fischer C, Frederiksen M, Futrell RE, Gray NS, Hatch SB, Knapp S, Lücking U, Michaelides M, Mills CE, Müller S, Owen D, Picado A, Saikatendu KS, Schröder M, Stolz A, Tellechea M, Turunen BJ, Vilar S, Wang J, Zuercher WJ, Willson TM, Drewry DH.Int J Mol Sci. 2021 Jan 8;22(2):E566. doi: 10.3390/ijms22020566.PMID: 33429995

2020

Inhibition of GCK-IV kinases dissociates cell death and axon regeneration in CNS neurons. Patel AK, Broyer RM, Lee CD, Lu T, Louie MJ, La Torre A, Al-Ali H, Vu MT, Mitchell KL, Wahlin KJ, Berlinicke CA, Jaskula-Ranga V, Hu Y, Duan X, Vilar S, Bixby JL, Weinreb RN, Lemmon VP, Zack DJ, Welsbie DS. Proc Natl Acad Sci U S A. 2020 Dec 29;117(52):33597-33607. doi: 10.1073/pnas.2004683117. Epub 2020 Dec 14. PMID: 33318207; PMCID: PMC7777023.

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. Picado A, Chaikuad A, Wells CI, Shrestha S, Zuercher WJ, Pickett JE, Kwarcinski FE, Sinha P, de Silva CS, Zutshi R, Liu S, Kannan N, Knapp S, Drewry DH, Willson TM. J Med Chem. 2020 Dec 10;63(23):14626-14646. doi: 10.1021/acs.jmedchem.0c01174. Epub 2020 Nov 20. PMID: 33215924; PMCID: PMC7816213.

Targeting aurora kinases as a potential prognostic and therapeutical biomarkers in pediatric acute lymphoblastic leukaemia. Moreira-Nunes CA, Mesquita FP, Portilho AJS, Mello Júnior FAR, Maués JHDS, Pantoja LDC, Wanderley AV, Khayat AS, Zuercher WJ, Montenegro RC, de Moraes-Filho MO, de Moraes MEA. Sci Rep. 2020 Dec 4;10(1):21272. doi: 10.1038/s41598-020-78024-8. PMID: 33277547; PMCID: PMC7718893.

Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3. Schröder M, Filippakopoulos P, Schwalm MP, Ferrer CA, Drewry DH, Knapp S, Chaikuad A. Int J Mol Sci. 2020 Oct 26;21(21):7953. doi: 10.3390/ijms21217953. PMID: 33114754; PMCID: PMC7663056.

PKIS deep dive yields a chemical starting point for dark kinases and a cell active BRSK2 inhibitor. Tigist Y Tamir, David H Drewry, Carrow Wells, M Ben Major, Alison D Axtman. Sci Rep 2020 Sep 28;10(1):15826. doi: 10.1038/s41598-020-72869-9. PMID: 32985588 PMCID: PMC7522982

HighVia-A Flexible Live-Cell High-Content Screening Pipeline to Assess Cellular Toxicity. Howarth A, Schröder M, Montenegro RC, Drewry DH, Sailem H, Millar V, Müller S, Ebner DV. SLAS Discov. 2020 Aug;25(7):801-811. doi: 10.1177/2472555220923979. Epub 2020 May 27. PMID: 32458721; PMCID: PMC7522770.

Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Henderson SH, Sorrell F, Bennett J, Hanley MT, Robinson S, Hopkins Navratilova I, Elkins JM, Ward SE. ACS Med Chem Lett. 2020 Jun 30;11(8):1620-1626. doi: 10.1021/acsmedchemlett.0c00279. PMID: 32832032; PMCID: PMC7430967.

Kinase inhibition profiles as a tool to identify kinases for specific phosphorylation sites. Watson NA, Cartwright TN, Lawless C, Cámara-Donoso M, Sen O, Sako K, Hirota T, Kimura H, Higgins JMG. Nat Commun. 2020 Apr 3;11(1):1684. doi: 10.1038/s41467-020-15428-0. PMID: 32245944; PMCID: PMC7125195.

Reconstructing kinase network topologies from phosphoproteomics data reveals cancer-associated rewiring. Hijazi M, Smith R, Rajeeve V, Bessant C, Cutillas PR. Nat Biotechnol. 2020 Apr;38(4):493-502. doi: 10.1038/s41587-019-0391-9. Epub 2020 Jan 20. PMID: 31959955.

Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Caplan T, Lorente-Macías Á, Stogios PJ, Evdokimova E, Hyde S, Wellington MA, Liston S, Iyer KR, Puumala E, Shekhar-Guturja T, Robbins N, Savchenko A, Krysan DJ, Whitesell L, Zuercher WJ, Cowen LE. Cell Chem Biol. 2020 Mar 19;27(3):269-282.e5. doi: 10.1016/j.chembiol.2019.12.008. Epub 2020 Jan 7. PMID: 31924499; PMCID: PMC7093242.

The identification and characterisation of autophagy inhibitors from the published kinase inhibitor sets. Zachari M, Rainard JM, Pandarakalam GC, Robinson L, Gillespie J, Rajamanickam M, Hamon V, Morrison A, Ganley IG, McElroy SP. Biochem J. 2020 Feb 28;477(4):801-814. doi: 10.1042/BCJ20190846. PMID: 32011652; PMCID: PMC7054748.

A high throughput zebrafish chemical screen reveals ALK5 and non-canonical androgen signalling as modulators of the pkd2-/- phenotype. Metzner A, Griffiths JD, Streets AJ, Markham E, Philippou T, Van Eeden FJM, Ong ACM. Sci Rep. 2020 Jan 9;10(1):72. doi: 10.1038/s41598-019-56995-7. PMID: 31919453; PMCID: PMC6952374.

Data structures for computational compound promiscuity analysis and exemplary applications to inhibitors of the human kinome. Miljković F, Bajorath J. J Comput Aided Mol Des. 2020 Jan;34(1):1-10. doi: 10.1007/s10822-019-00266-0. Epub 2019 Dec 2. PMID: 31792884.

2019

THP-1 and Dictyostelium Infection Models for Screening and Characterization of Anti-Mycobacterium abscessus Hit Compounds. Richter A, Shapira T, Av-Gay Y.. Antimicrob Agents Chemother. 2019 Dec 20;64(1):e01601-19. doi: 10.1128/AAC.01601-19. PMID: 31636068; PMCID: PMC7187604.

Quinazoline-Based Antivirulence Compounds Selectively Target Salmonella PhoP/PhoQ Signal Transduction System. Carabajal MA, Asquith CRM, Laitinen T, Tizzard GJ, Yim L, Rial A, Chabalgoity JA, Zuercher WJ, García Véscovi E. Antimicrob Agents Chemother. 2019 Dec 20;64(1):e01744-19. doi: 10.1128/AAC.01744-19. PMID: 31611347; PMCID: PMC7187569.

Chemogenomic Analysis of the Druggable Kinome and Its Application to Repositioning and Lead Identification Studies. Ravikumar B, Timonen S, Alam Z, Parri E, Wennerberg K, Aittokallio T. Cell Chem Biol. 2019 Nov 21;26(11):1608-1622.e6. doi:10.1016/j.chembiol.2019.08.007. Epub 2019 Sep 11. PMID:31521622

SGC-AAK1-1: A Chemical Probe Targeting AAK1 and BMP2K. Wells C, Couñago RM, Limas JC, Almeida TL, Cook JG, Drewry DH, Elkins JM, Gileadi O, Kapadia NR, Lorente-Macias A, Pickett JE, Riemen A, Ruela-de-Sousa RR, Willson TM, Zhang C, Zuercher WJ, Zutshi R, Axtman AD. ACS Med Chem Lett. 2019 Oct 23;11(3):340-345. doi: 10.1021/acsmedchemlett.9b00399. PMID: 32184967; PMCID: PMC7073879.

Inhibition of ErbB kinase signalling promotes resolution of neutrophilic inflammation. Rahman A, Henry KM, Herman KD, Thompson AA, Isles HM, Tulotta C, Sammut D, Rougeot JJ, Khoshaein N, Reese AE, Higgins K, Tabor C, Sabroe I, Zuercher WJ, Savage CO, Meijer AH, Whyte MK, Dockrell DH, Renshaw SA, Prince LR. Elife. 2019 Oct 15;8. pii: e50990. doi: 10.7554/eLife.50990. PMID:31613219

Repurposing Eukaryotic Kinase Inhibitors as Colistin Adjuvants in Gram-Negative Bacteria. Barker WT, Nemeth AM, Brackett SM, Basak AK, Chandler CE, Jania LA, Zuercher WJ, Melander RJ, Koller BH, Ernst RK, Melander C. ACS Infect Dis. 2019 Oct 11;5(10):1764-1771. doi: 10.1021/acsinfecdis.9b00212. Epub 2019 Sep 4. PMID:31434474

E2F1 proteolysis via SCF-cyclin F underlies synthetic lethality between cyclin F loss and Chk1 inhibition. Burdova K, Yang H, Faedda R, Hume S, Chauhan J, Ebner D, Kessler BM, Vendrell I, Drewry DH, Wells CI, Hatch SB, Dianov GL, Buffa FM, D’Angiolella V. EMBO J. 2019 Aug 19:e101443. doi: 10.15252/embj.2018101443. [Epub ahead of print] PMID: 31424118

Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation. Li X, Li Z, Wu X, Xiong Z, Yang T, Fu Z, Liu X, Tan X, Zhong F, Wan X, Wang D, Ding X, Yang R, Hou H, Li C, Liu H, Chen K, Jiang H, Zheng M. J Med Chem. 2019 Aug 15. doi: 10.1021/acs.jmedchem.9b00855. [Epub ahead of print] PMID:31364850

Predicting kinase inhibitors using bioactivity matrix derived informer sets. Zhang H, Ericksen SS, Lee CP, Ananiev GE, Wlodarchak N, Yu P, Mitchell JC, Gitter A, Wright SJ, Hoffmann FM, Wildman SA, Newton MA. PLoS Comput Biol. 2019 Aug 5;15(8):e1006813. doi: 10.1371/journal.pcbi.1006813. eCollection 2019 Aug. PMID: 31381559. PMCID: PMC6695194

Phenotypic Screening Combined with Machine Learning for Efficient Identification of Breast Cancer-Selective Therapeutic Targets. Gautam P, Jaiswal A, Aittokallio T, Al-Ali H, Wennerberg K. Cell Chem Biol. 2019 Jul 18;26(7):970-979.e4. doi:10.1016/j.chembiol.2019.03.011. Epub 2019 May 2. PMID:31056464

Rational discovery of dual-indication multi-target PDE/Kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology. Lim H, He D, Qiu Y, Krawczuk P, Sun X, Xie L. PLoS Comput Biol. 2019 Jun 17;15(6):e1006619. doi: 10.1371/journal.pcbi.1006619. eCollection 2019 Jun. PMID: 31206508. PMCID: PMC6576746

A Perspective on Extreme Open Science: Companies Sharing Compounds without Restriction. Drewry DH, Wells CI, Zuercher WJ, Willson TM. SLAS Discov. 2019 Apr 29:2472555219838210. doi: 10.1177/2472555219838210. [Epub ahead of print] PMID: 31034310

Crizotinib-induced immunogenic cell death in non-small cell lung cancer. Liu P, Zhao L, Pol J, Levesque S, Petrazzuolo A, Pfirschke C, Engblom C, Rickelt S, Yamazaki T, Iribarren K, Senovilla L, Bezu L, Vacchelli E, Sica V, Melis A, Martin T, Xia L, Yang H, Li Q, Chen J, Durand S, Aprahamian F, Lefevre D, Broutin S, Paci A, Bongers A, Minard-Colin V, Tartour E, Zitvogel L, Apetoh L, Ma Y, Pittet MJ, Kepp O, Kroemer G. Nat Commun. 2019 Apr 2;10(1):1486. doi: 10.1038/s41467-019-09415-3.

Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome-Inhibitor Interaction Landscapes. Janssen APA, Grimm SH, Wijdeven RHM, Lenselink EB, Neefjes J, van Boeckel CAA, van Westen GJP, van der Stelt M. J Chem Inf Model. 2019 Mar 25;59(3):1221-1229. doi: 10.1021/acs.jcim.8b00640. Epub 2018 Nov 8.

Identification of a novel class of RIP1/RIP3 dual inhibitors that impede cell death and inflammation in mouse abdominal aortic aneurysm models. Zhou T, Wang Q, Phan N, Ren J, Yang H, Feldman CC, Feltenberger JB, Ye Z, Wildman SA, Tang W, Liu B. Cell Death Dis. 2019 Mar 6;10(3):226. doi: 10.1038/s41419-019-1468-6

Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor. Kirberger SE1, Ycas PD, Johnson JA, Chen C, Ciccone MF, Woo RWL, Urick AK, Zahid H, Shi K, Aihara H, McAllister SD, Kashani-Sabet M, Shi J, Dickson A, Dos Santos CO, Pomerantz WCK. Org Biomol Chem. 2019 Feb 13;17(7):2020-2027. doi: 10.1039/c8ob02599a.

What Makes a Kinase Promiscuous for Inhibitors? Hanson SM, Georghiou G, Thakur MK, Miller WT, Rest JS, Chodera JD, Seeliger MA. Cell Chem Biol. 2019 Mar 21;26(3):390-399.e5. doi: 10.1016/j.chembiol.2018.11.005. Epub 2019 Jan 3. PMID: 30612951; PMCID: PMC6632086.

Dual inhibition of Kif15 by oxindole and quinazolinedione chemical probes. Dumas ME, Chen GY, Kendrick ND, Xu G, Larsen SD, Jana S, Waterson AG, Bauer JA, Hancock W, Sulikowski GA, Ohi R. Bioorg Med Chem Lett. 2019 Jan 15;29(2):148-154. doi: 10.1016/j.bmcl.2018.12.008. Epub 2018 Dec 4. PMID: 30528696; PMCID: PMC6681659.

WNT Activates the AAK1 Kinase to Promote Clathrin-Mediated Endocytosis of LRP6 and Establish a Negative Feedback Loop. Megan J. Agajanian, Matthew P. Walker, Alison D. Axtman, Roberta R. Ruela-de-Sousa, D. Stephen Serafin, Alex D. Rabinowitz, David M. Graham, Meagan B. Ryan, Tigist Tamir, Yuko Nakamichi, Melissa V. Gammons, James M. Bennett, Rafael M. Couñago, David H. Drewry, Jonathan M. Elkins, Carina Gileadi, Opher Gileadi, Paulo H. Godoi, Nirav Kapadia, Susanne Müller, André S. Santiago, Fiona J. Sorrell, Carrow I. Wells, Oleg Fedorov, Timothy M. Willson, William J. Zuercher, Michael B. Major. Cell Rep. 2019 Jan 2; 26(1): 79–93.e8. Published online 2019 Jan 2. doi: 10.1016/j.celrep.2018.12.023 PMCID: PMC6315376 PMID: 30605688.

D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings. Gaieb Z, Parks CD, Chiu M, Yang H, Shao C, Walters WP, Lambert MH, Nevins N, Bembenek SD, Ameriks MK, Mirzadegan T, Burley SK, Amaro RE, Gilson MK. J Comput Aided Mol Des. 2019 Jan;33(1):1-18. doi: 10.1007/s10822-018-0180-4. Epub 2019 Jan 10.

Drug repurposing: progress, challenges and recommendations. Pushpakom S, Iorio F, Eyers PA, Escott KJ, Hopper S, Wells A, Doig A, Guilliams T, Latimer J, McNamee C, Norris A, Sanseau P, Cavalla D, Pirmohamed M. Nat Rev Drug Discov. 2019 Jan;18(1):41-58. doi: 10.1038/nrd.2018.168. Epub 2018 Oct 12. PMID: 30310233.

2018

GSK3 suppression upregulates β-catenin and c-Myc to abrogate KRas-dependent tumors. Kazi A, Xiang S, Yang H, Delitto D, Trevino J, Jiang RHY, Ayaz M, Lawrence HR, Kennedy P, Sebti SM. Nat Commun. 2018 Dec 4;9(1):5154. doi: 10.1038/s41467-018-07644-6.

KRAS Suppression-Induced Degradation of MYC Is Antagonized by a MEK5-ERK5 Compensatory Mechanism. Vaseva AV, Blake DR, Gilbert TSK, Ng S, Hostetter G, Azam SH, Ozkan-Dagliyan I, Gautam P, Bryant KL, Pearce KH, Herring LE, Han H, Graves LM, Witkiewicz AK, Knudsen ES, Pecot CV, Rashid N, Houghton PJ, Wennerberg K, Cox AD, Der CJ. Cancer Cell. 2018 Nov 12;34(5):807-822.e7. doi: 10.1016/j.ccell.2018.10.001.

Use of Protein Kinase-Focused Compound Libraries for the Discovery of New Inositol Phosphate Kinase Inhibitors. Puhl-Rubio AC, Stashko MA, Wang H, Hardy PB, Tyagi V, Li B, Wang X, Kireev D, Jessen HJ, Frye SV, Shears SB, Pearce KH. SLAS Discov. 2018 Oct;23(9):982-988. doi: 10.1177/2472555218775323. Epub 2018 May 29.

In silico screen and structural analysis identifies bacterial kinase inhibitors which act with beta-lactams to inhibit Mycobacterial growth. Nathan Wlodarchak, Nathan Teachout, Rebecca Procknow, Jeff Beczkiewicz, Adam Schaenzer, Kenneth Satyshur, Martin Pavelka, Bill Zuercher, Dave Drewry, John-Demian Sauer, Rob Striker. Mol Pharm. 2018 Nov 5;15(11):5410-5426. doi:10.1021/acs.molpharmaceut.8b00905. Epub 2018 Oct 18.

Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor. Divakaran A, Talluri SK, Ayoub AM, Mishra NK, Cui H, Widen JC, Berndt N, Zhu JY, Carlson AS, Topczewski JJ, Schonbrunn EK, Harki DA, Pomerantz WCK. J Med Chem. 2018 Oct 25;61(20):9316-9334. doi: 10.1021/acs.jmedchem.8b01248. Epub 2018 Oct 16.

Role for ERK1/2-dependent activation of FCHSD2 in cancer cell-selective regulation of clathrin-mediated endocytosis. Xiao GY, Mohanakrishnan A, Schmid SL. Proc Natl Acad Sci U S A. 2018 Oct 9;115(41):E9570-E9579. doi: 10.1073/pnas.1810209115. Epub 2018 Sep 24.

Investigation of novel chemotherapeutics for feline oral squamous cell carcinoma. Hunter John Piegols, Marilia Takada, Maciej Parys, Thomas Dexheimer, Vilma Yuzbasiyan-Gurkan. Oncotarget. 2018 Sep 4; 9(69): 33098–33109. Published online 2018 Sep 4. doi: 10.18632/oncotarget.26006. PMCID: PMC6145701. PMID: 30237854

Identification of lead anti-human cytomegalovirus compounds targeting MAP4K4 via machine learning analysis of kinase inhibitor screening data. Strang BL, Asquith CRM, Moshrif HF, Ho CM, Zuercher WJ, Al-Ali H. PLoS One. 2018 Jul 26;13(7):e0201321. doi: 10.1371/journal.pone.0201321. eCollection 2018.

Identification of PKMYT1 inhibitors by screening the GSK published protein kinase inhibitor set I and II. Platzer C, Najjar A, Rhoe A, Erdmann F, Sippl W, Schmidt M. Bioorg Med Chem. 2018 Jun 20. pii: S0968-0896(18)30496-6. doi: 10.1016/j.bmc.2018.06.027. [Epub ahead of print] PMID: 29941193

Immuno-detection by sequencing enables large-scale high-dimensional phenotyping in cells. van Buggenum JAG, Gerlach JP, Tanis SEJ, Hogeweg M, Jansen PWTC, Middelwijk J, van der Steen R, Vermeulen M, Stunnenberg HG, Albers CA, Mulder KW. Nat Commun. 2018 Jun 19;9(1):2384. doi: 10.1038/s41467-018-04761-0. PMID: 29921844

New chemical tools for probing activity and inhibition of the NAD+-dependent lysine deacylase sirtuin 2. Swyter S, Schiedel M, Monaldi D, Szunyogh S, Lehotzky A, Rumpf T, Ovádi J, Sippl W, Jung M. Philos Trans R Soc Lond B Biol Sci. 2018 Jun 5;373(1748). pii: 20170083. doi: 10.1098/rstb.2017.0083.

The polo-like kinase 1 inhibitor volasertib synergistically increases radiation efficacy in glioma stem cells. Dong J, Park SY, Nguyen N, Ezhilarasan R, Martinez-Ledesma E, Wu S, Henry V, Piao Y, Tiao N, Brunell D, Stephan C, Verhaak R, Sulman E, Balasubramaniyan V, de Groot JF. Oncotarget. 2018 Jan 8;9(12):10497-10509. doi: 10.18632/oncotarget.24041. eCollection 2018 Feb 13. PMID: 29535822

High-throughput screen for compounds that modulate neurite growth of human induced pluripotent stem cell-derived neurons. Sherman SP, Bang AG. Dis Model Mech. 2018 Feb 2;11(2). pii: dmm031906. doi: 10.1242/dmm.031906.

Identification and Optimization of 4-Anilinoquinolines as Inhibitors of Cyclin G Associated Kinase. Asquith CRM, Laitinen T, Bennett JM, Godoi PH, East MP, Tizzard GJ, Graves LM, Johnson GL, Dornsife RE, Wells CI, Elkins JM, Willson TM, Zuercher WJ. ChemMedChem. 2018 Jan 8;13(1):48-66. doi: 10.1002/cmdc.201700663. Epub 2017 Nov 27.

2017

In depth analysis of kinase cross screening data to identify chemical starting points for inhibition of the Nek family of kinases. Wells CI, Kapadia NR, Couñago RM, Drewry DH. Medchemcomm. 2017 Dec 8;9(1):44-66. doi: 10.1039/c7md00510e. PMID: 30108900; PMCID: PMC6071746.

Potent Pyrimidine and Pyrrolopyrimidine Inhibitors of Testis-Specific Serine/Threonine Kinase 2 (TSSK2). Hawkinson JE, Sinville R, Mudaliar D, Shetty J, Ward T, Herr JC, Georg GI. ChemMedChem. 2017 Nov 22;12(22):1857-1865. doi: 10.1002/cmdc.201700503. Epub 2017 Oct 20. PMID: 28952188

Tension Creates an Endoreplication Wavefront that Leads Regeneration of Epicardial Tissue. Cao J, Wang J, Jackman CP, Cox AH, Trembley MA, Balowski JJ, Cox BD, De Simone A, Dickson AL, Di Talia S, Small EM, Kiehart DP, Bursac N, Poss KD. Dev Cell. 2017 Sep 25;42(6):600-615.e4. doi: 10.1016/j.devcel.2017.08.024. PMID: 28950101

Systematic Kinase Inhibitor Profiling Identifies CDK9 as a Synthetic Lethal Target in NUT Midline Carcinoma. Brägelmann J, Dammert MA, Dietlein F, Heuckmann JM, Choidas A, Böhm S, Richters A, Basu D, Tischler V, Lorenz C, Habenberger P, Fang Z, Ortiz-Cuaran S, Leenders F, Eickhoff J, Koch U, Getlik M, Termathe M, Sallouh M, Greff Z, Varga Z, Balke-Want H, French CA, Peifer M, Reinhardt HC, Örfi L, Kéri G, Ansén S, Heukamp LC, Büttner R, Rauh D, Klebl BM, Thomas RK, Sos ML. Cell Rep. 2017 Sep 19;20(12):2833-2845. doi: 10.1016/j.celrep.2017.08.082. PMID: 28930680

Kinase inhibitor screening using artificial neural networks and engineered cardiac biowires. Conant G, Ahadian S, Zhao Y, Radisic M. Sci Rep. 2017 Sep 18;7(1):11807. doi: 10.1038/s41598-017-12048-5. PMID: 28924210

A screen for kinase inhibitors identifies antimicrobial imidazopyridine aminofurazans as specific inhibitors of the Listeria monocytogenes PASTA kinase PrkA. Schaenzer AJ, Wlodarchak N, Drewry DH, Zuercher WJ, Rose WE, Striker R, Sauer JD. J Biol Chem. 2017 Oct 13;292(41):17037-17045. doi: 10.1074/jbc.M117.808600. Epub 2017 Aug 16. PMID: 28821610

Novel application of the published kinase inhibitor set to identify therapeutic targets and pathways in triple negative breast cancer subtypes . Matossian MD, Elliott S, Hoang VT, Burks HE, Phamduy TB, Chrisey DB, Zuercher WJ, Drewry DH, Wells C, Collins-Burow B, Burow ME. PLoS One. 2017 Aug 3;12(8):e0177802. doi: 10.1371/journal.pone.0177802. eCollection 2017. PMID: 28771473

Prediction of intracellular exposure bridges the gap between target- and cell-based drug discovery. Mateus A, Gordon LJ, Wayne GJ, Almqvist H, Axelsson H, Seashore-Ludlow B, Treyer A, Matsson P, Lundbäck T, West A, Hann MM, Artursson P. Proc Natl Acad Sci U S A. 2017 Jul 25;114(30):E6231-E6239. doi: 10.1073/pnas.1701848114. Epub 2017 Jul 12. PMID: 28701380

Functional annotation of chemical libraries across diverse biological processes. Piotrowski JS, Li SC, Deshpande R, Simpkins SW, Nelson J, Yashiroda Y, Barber JM, Safizadeh H, Wilson E, Okada H, Gebre AA, Kubo K, Torres NP, LeBlanc MA, Andrusiak K, Okamoto R, Yoshimura M, DeRango-Adem E, van Leeuwen J, Shirahige K, Baryshnikova A, Brown GW, Hirano H, Costanzo M, Andrews B, Ohya Y, Osada H, Yoshida M, Myers CL, Boone C. Nat Chem Biol. 2017 Sep;13(9):982-993. doi: 10.1038/nchembio.2436. Epub 2017 Jul 24. Erratum in: Nat Chem Biol. 2017 Nov 21;13(12 ):1286. PMID: 28759014

A Simple Method to Identify Kinases That Regulate Embryonic Stem Cell Pluripotency by High-throughput Inhibitor Screening. Williams CAC, Gray NS, Findlay GM. J Vis Exp. 2017 May 12;(123). doi: 10.3791/55515. PMID: 28570543

Applications of chemogenomic library screening in drug discovery. Jones LH, Bunnage ME. Nat Rev Drug Discov. 2017 Apr;16(4):285-296. doi: 10.1038/nrd.2016.244. Epub 2017 Jan 20. PMID: 28104905.

Accelerating glioblastoma drug discovery: Convergence of patient-derived models, genome editing and phenotypic screening. O’Duibhir E, Carragher NO, Pollard SM. Mol Cell Neurosci. 2017 Apr;80:198-207. doi: 10.1016/j.mcn.2016.11.001. Epub 2016 Nov 4. PMID: 27825983; PMCID: PMC6128397.

High-throughput screening of a GlaxoSmithKline protein kinase inhibitor set identifies an inhibitor of human cytomegalovirus replication that prevents CREB and histone H3 post-translational modification. Khan AS, Murray MJ, Ho CMK, Zuercher WJ, Reeves MB, Strang BL. J Gen Virol. 2017 Apr;98(4):754-768. doi: 10.1099/jgv.0.000713. Epub 2017 Apr 20. PMID: 28100301

Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Dixon-Clarke SE, Shehata SN, Krojer T, Sharpe TD, von Delft F, Sakamoto K, Bullock AN. Biochem J. 2017 Feb 20;474(5):699-713. doi: 10.1042/BCJ20160941. PMID: 28057719

2016

Identification of Highly Potent Protein Kinase C-Related Kinase 1 Inhibitors by Virtual Screening, Binding Free Energy Rescoring, and in vitro Testing. Slynko I, Schmidtkunz K, Rumpf T, Klaeger S, Heinzlmeir S, Najar A, Metzger E, Kuster B, Schüle R, Jung M, Sippl W. ChemMedChem. 2016 Sep 20;11(18):2084-94. doi: 10.1002/cmdc.201600284. Epub 2016 Jul 29.

Chemogenetic Characterization of Inositol Phosphate Metabolic Pathway Reveals Druggable Enzymes for Targeting Kinetoplastid Parasites. Cestari I, Haas P, Moretti NS, Schenkman S, Stuart K. Cell Chem Biol. 2016 May 19;23(5):608-617. doi: 10.1016/j.chembiol.2016.03.015. Epub 2016 Apr 28. PMID: 27133314

Using a Genetically Encoded Sensor to Identify Inhibitors of Toxoplasma gondii Ca2+ Signaling. Sidik SM, Hortua Triana MA, Paul AS, El Bakkouri M, Hackett CG, Tran F, Westwood NJ, Hui R, Zuercher WJ, Duraisingh MT, Moreno SN, Lourido S. J Biol Chem. 2016 Apr 29;291(18):9566-80. doi:10.1074/jbc.M115.703546. Epub 2016 Mar 1. PMID: 26933036

Identification of “Preferred” Human Kinase Inhibitors for Sleeping Sickness Lead Discovery. Are Some Kinases Better than Others for Inhibitor Repurposing? Amata E, Xi H, Colmenarejo G, Gonzalez-Diaz R, Cordon-Obras C, Berlanga M, Manzano P, Erath J, Roncal NE, Lee PJ, Leed SE, Rodriguez A, Sciotti RJ, Navarro M, Pollastri MP. ACS Infect Dis. 2016 Mar 11;2(3):180-186. Epub 2016 Jan 17. PMID: 26998514

Characterization of RIPK3-mediated phosphorylation of the activation loop of MLKL during necroptosis. Rodriguez DA, Weinlich R, Brown S, Guy C, Fitzgerald P, Dillon CP, Oberst A, Quarato G, Low J, Cripps JG, Chen T, Green DR. Cell Death Differ. 2016 Jan;23(1):76-88. doi: 10.1038/cdd.2015.70. Epub 2015 May 29. PMID: 26024392

2015

LIM kinase inhibitors disrupt mitotic microtubule organization and impair tumor cell proliferation. Mardilovich K, Baugh M, Crighton D, Kowalczyk D, Gabrielsen M, Munro J, Croft DR, Lourenco F, James D, Kalna G, McGarry L, Rath O, Shanks E, Garnett MJ, McDermott U, Brookfield J, Charles M, Hammonds T, Olson MF. Oncotarget. 2015 Nov 17;6(36):38469-86. doi: 10.18632/oncotarget.6288. PMID: 26540348

Dual Screening of BPTF and Brd4 Using Protein-Observed Fluorine NMR Uncovers New Bromodomain Probe Molecules. Urick AK, Hawk LM, Cassel MK, Mishra NK, Liu S, Adhikari N, Zhang W, dos Santos CO, Hall JL, Pomerantz WC. ACS Chem Biol. 2015 Oct 16;10(10):2246-56. doi: 10.1021/acschembio.5b00483. Epub 2015 Jul 28. PMID: 26158404

Systematic Mapping of Kinase Addiction Combinations in Breast Cancer Cells by Integrating Drug Sensitivity and Selectivity Profiles. Szwajda A, Gautam P, Karhinen L, Jha SK, Saarela J, Shakyawar S, Turunen L, Yadav B, Tang J, Wennerberg K, Aittokallio T. Chem Biol. 2015 Aug 20;22(8):1144-55. doi: 10.1016/j.chembiol.2015.06.021. Epub 2015 Jul 23. PMID: 26211361

Application of RNAi to Genomic Drug Target Validation in Schistosomes. Guidi A, Mansour NR, Paveley RA, Carruthers IM, Besnard J, Hopkins AL, Gilbert IH, Bickle QD. PLoS Negl Trop Dis. 2015 May 20;9(5):e0003801. doi: 10.1371/journal.pntd.0003801. eCollection 2015 May. PMID: 25992548

Low cost whole-organism screening of compounds for anthelmintic activity. Preston S, Jabbar A, Nowell C, Joachim A, Ruttkowski B, Baell J, Cardno T, Korhonen PK, Piedrafita D, Ansell BR, Jex AR, Hofmann A, Gasser RB. Int J Parasitol. 2015 Apr;45(5):333-43. doi: 10.1016/j.ijpara.2015.01.007. Epub 2015 Mar 5. PMID: 25746136

KINATEST-ID: a pipeline to develop phosphorylation-dependent terbium sensitizing kinase assays. Lipchik AM, Perez M, Bolton S, Dumrongprechachan V, Ouellette SB, Cui W, Parker LL. J Am Chem Soc. 2015 Feb 25;137(7):2484-94. doi: 10.1021/ja507164a. Epub 2015 Feb 17. PMID: 25689372

Identification and further development of potent TBK1 inhibitors. Richters A, Basu D, Engel J, Ercanoglu MS, Balke-Want H, Tesch R, Thomas RK, Rauh D. ACS Chem Biol. 2015 Jan 16;10(1):289-98. doi: 10.1021/cb500908d. PMID: 25540906

Identification and structure-function analysis of subfamily selective G protein-coupled receptor kinase inhibitors. Homan KT, Larimore KM, Elkins JM, Szklarz M, Knapp S, Tesmer JJ. ACS Chem Biol. 2015 Jan 16;10(1):310-9. doi: 10.1021/cb5006323. Epub 2014 Oct 3. PMID: 25238254

GSK-3 modulates cellular responses to a broad spectrum of kinase inhibitors. Thorne CA, Wichaidit C, Coster AD, Posner BA, Wu LF, Altschuler SJ. Nat Chem Biol. 2015 Jan;11(1):58-63. doi: 10.1038/nchembio.1690. Epub 2014 Nov 17. PMID: 25402767

2014

WIPO re:search: catalyzing collaborations to accelerate product development for diseases of poverty. Ramamoorthi R, Graef KM, Krattiger A, Dent JC. Chem Rev. 2014 Nov 26;114(22):11272-9. doi: 10.1021/cr5000656. Epub 2014 Sep 17. Review. No abstract available. PMID: 25229276

Cellular manganese content is developmentally regulated in human dopaminergic neurons. Kumar KK, Lowe EW Jr, Aboud AA, Neely MD, Redha R, Bauer JA, Odak M, Weaver CD, Meiler J, Aschner M, Bowman AB. Sci Rep. 2014 Oct 28;4:6801. doi: 10.1038/srep06801. PMID: 25348053

Identification and characterization of hundreds of potent and selective inhibitors of Trypanosoma brucei growth from a kinase-targeted library screening campaign. Diaz R, Luengo-Arratta SA, Seixas JD, Amata E, Devine W, Cordon-Obras C, Rojas-Barros DI, Jimenez E, Ortega F, Crouch S, Colmenarejo G, Fiandor JM, Martin JJ, Berlanga M, Gonzalez S, Manzano P, Navarro M, Pollastri MP. PLoS Negl Trop Dis. 2014 Oct 23;8(10):e3253. doi: 10.1371/journal.pntd.0003253. eCollection 2014 Oct. PMID: 25340575

Activation of the pseudokinase MLKL unleashes the four-helix bundle domain to induce membrane localization and necroptotic cell death. Hildebrand JM, Tanzer MC, Lucet IS, Young SN, Spall SK, Sharma P, Pierotti C, Garnier JM, Dobson RC, Webb AI, Tripaydonis A, Babon JJ, Mulcair MD, Scanlon MJ, Alexander WS, Wilks AF, Czabotar PE, Lessene G, Murphy JM, Silke J. Proc Natl Acad Sci U S A. 2014 Oct 21;111(42):15072-7. doi: 10.1073/pnas.1408987111. Epub 2014 Oct 6. PMID: 25288762

Chemical interrogation of the malaria kinome. Derbyshire ER, Zuzarte-Luís V, Magalhães AD, Kato N, Sanschagrin PC, Wang J, Zhou W, Miduturu CV, Mazitschek R, Sliz P, Mota MM, Gray NS, Clardy J. Chembiochem. 2014 Sep 5;15(13):1920-30. doi: 10.1002/cbic.201400025. Epub 2014 Aug 8. PMID: 25111632

Acetyl-lysine binding site of bromodomain-containing protein 4 (BRD4) interacts with diverse kinase inhibitors . Ember SW, Zhu JY, Olesen SH, Martin MP, Becker A, Berndt N, Georg GI, Schönbrunn E. ACS Chem Biol. 2014 May 16;9(5):1160-71. doi: 10.1021/cb500072z. Epub 2014 Mar 13. PMID: 24568369

Seeding collaborations to advance kinase science with the GSK Published Kinase Inhibitor Set (PKIS). Drewry DH, Willson TM, Zuercher WJ. Curr Top Med Chem. 2014 Feb;14(3):340-2. Review. PMID: 24283969

Development of a cell-based, high-throughput screening assay for ATM kinase inhibitors . Guo K, Shelat AA, Guy RK, Kastan MB. J Biomol Screen. 2014 Apr;19(4):538-46. doi: 10.1177/1087057113520325. Epub 2014 Jan 24. Erratum in: J Biomol Screen. 2014 Dec;19(10):1418. PMID: 24464432

2013

Identification of potent Yes1 kinase inhibitors using a library screening approach. Patel PR, Sun H, Li SQ, Shen M, Khan J, Thomas CJ, Davis MI. Bioorg Med Chem Lett. 2013 Aug 1;23(15):4398-403. doi: 10.1016/j.bmcl.2013.05.072. Epub 2013 May 29. PMID: 23787099

Profile of the GSK published protein kinase inhibitor set across ATP-dependent and-independent luciferases: implications for reporter-gene assays. Dranchak P, MacArthur R, Guha R, Zuercher WJ, Drewry DH, Auld DS, Inglese J. PLoS One. 2013;8(3):e57888. doi: 10.1371/journal.pone.0057888. Epub 2013 Mar 7. PMID: 2350544

A public-private partnership to unlock the untargeted kinome. Knapp S, Arruda P, Blagg J, Burley S, Drewry DH, Edwards A, Fabbro D, Gillespie P, Gray NS, Kuster B, Lackey KE, Mazzafera P, Tomkinson NC, Willson TM, Workman P, Zuercher WJ. Nat Chem Biol. 2013 Jan;9(1):3-6. doi: 10.1038/nchembio.1113. No abstract available. PMID: 23238671

2011

An integrated in vitro and in vivo high-throughput screen identifies treatment leads for ependymoma. Atkinson JM, Shelat AA, Carcaboso AM, Kranenburg TA, Arnold LA, Boulos N, Wright K, Johnson RA, Poppleton H, Mohankumar KM, Féau C, Phoenix T, Gibson P, Zhu L, Tong Y, Eden C, Ellison DW, Priebe W, Koul D, Yung WK, Gajjar A, Stewart CF, Guy RK, Gilbertson RJ. Cancer Cell. 2011 Sep 13;20(3):384-99. doi: 10.1016/j.ccr.2011.08.013. PMID: 21907928

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