SGC-UNC Publications

Illuminating function of the understudied druggable kinome. Drug Discov Today. Gomez SM, Axtman AD, Willson TM, Major MB, Townsend RR, Sorger PK, Johnson GL. 2024 Mar;29(3):103881. doi: 10.1016/j.drudis.2024.103881. Epub 2024 Jan 11. PMID: 38218213.

Preprint: Discovery of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach. Merten EM, Sears JD, Leisner TM, Hardy PB, Ghoshal A, Hossain MA, Asressu KH, Brown PJ, Stashko MA, Herring LE, Mordant AL, Webb TS, Mills CA, Barker NK, Arnold JJ, Cameron CE, Streblow DN, Moorman NJ, Heise M, Willson TM, Popov KI, Pearce KH. bioRxiv [Preprint]. 2024 Mar 22:2024.03.22.586341. doi: 10.1101/2024.03.22.586341. PMID: 38562906; PMCID: PMC10983941.

Illumination of understudied ciliary kinases. Flax RG, Rosston P, Rocha C, Anderson B, Capener JL, Durcan TM, Drewry DH, Prinos P, Axtman AD. Front Mol Biosci. 2024 Mar 8;11:1352781. doi: 10.3389/fmolb.2024.1352781. PMID: 38523660; PMCID: PMC10958382.

Chemical tools for the Gid4 subunit of the human E3 ligase C-terminal to LisH (CTLH) degradation complex. Yazdi AK, Perveen S, Dong C, Song X, Dong A, Szewczyk MM, Calabrese MF, Casimiro-Garcia A, Chakrapani S, Dowling MS, Ficici E, Lee J, Montgomery JI, O'Connell TN, Skrzypek GJ, Tran TP, Troutman MD, Wang F, Young JA, Min J, Barsyte-Lovejoy D, Brown PJ, Santhakumar V, Arrowsmith CH, Vedadi M, Owen DR. RSC Med Chem. 2024 Mar 5;15(3):1066-1071. doi: 10.1039/d3md00633f. PMID: 38516600; PMCID: PMC10953471.

Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity. Asressu KH, Smith JL, Dickmander RJ, Moorman NJ, Wellnitz J, Popov KI, Axtman AD, Willson TM. Pharmaceuticals (Basel). 2024 Feb 27;17(3):306. doi: 10.3390/ph17030306. PMID: 38543092; PMCID: PMC10976173.

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 CA, 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. PLoS One. 2024 Feb 15;19(2):e0293548. doi: 10.1371/journal.pone.0293548. PMID: 38359047; PMCID: PMC10868801.

Identification of 4-(6-((2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acids as CSNK2A inhibitors with antiviral activity and improved selectivity over PIM3. Galal KA, Krämer A, Strickland BG, Smith JL, Dickmander RJ, Moorman NJ, Willson TM. Bioorg Med Chem Lett. 2024 Feb 1;99:129617. doi: 10.1016/j.bmcl.2024.129617. Epub 2024 Jan 8. PMID: 38199328.

Discovery of pyrazolo[3,4-d]pyrimidines as novel mitogen-activated protein kinase kinase 3 (MKK3) inhibitors. Takarada JE, Cunha MR, Almeida VM, Vasconcelos SNS, Santiago AS, Godoi PH, Salmazo A, Ramos PZ, Fala AM, de Souza LR, Da Silva IEP, Bengtson MH, Massirer KB, Couñago RM. Bioorg Med Chem. 2024 Jan 15;98:117561. doi: 10.1016/j.bmc.2023.117561. Epub 2023 Dec 20. PMID: 38157838.

2023

Preprint: Discovery and Optimization of Narrow Spectrum Inhibitors of Tousled Like Kinase 2 (TLK2) Using Quantitative Structure Activity Relationships. Asquith CRM, East MP, Laitinen T, Alamillo-Ferrer C, Hartikainen E, Wells CI, Axtman AD, Drewry DH, Tizzard GJ, Poso A, Willson TM, Johnson GL. bioRxiv [Preprint]. 2023 Dec 28:2023.12.28.573261. doi: 10.1101/2023.12.28.573261. PMID: 38234837; PMCID: PMC10793458.

Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. Ahmad S, Xu J, Feng JA, Hutchinson A, Zeng H, Ghiabi P, Dong A, Centrella PA, Clark MA, Guié MA, Guilinger JP, Keefe AD, Zhang Y, Cerruti T, Cuozzo JW, von Rechenberg M, Bolotokova A, Li Y, Loppnau P, Seitova A, Li YY, Santhakumar V, Brown PJ, Ackloo S, Halabelian L. J Med Chem. 2023 Dec 14;66(23):16051-16061. doi: 10.1021/acs.jmedchem.3c01471. Epub 2023 Nov 23. PMID: 37996079.

Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach 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. J Biol Chem. 2023 Dec;299(12):105382. doi: 10.1016/j.jbc.2023.105382. Epub 2023 Oct 21. PMID: 37866628; PMCID: PMC10692723.

SGC-CLK-1: A chemical probe for the Cdc2-like kinases CLK1, CLK2, and CLK4. Tiek D, Wells CI, Schröder M, Song X, Alamillo-Ferrer C, Goenka A, Iglesia R, Lu M, Hu B, Kwarcinski F, Sintha P, de Silva C, Hossain MA, Picado A, Zuercher W, Zutshi R, Knapp S, Riggins RB, Cheng SY, Drewry DH. Curr Res Chem Biol. 2023;3:100045. doi: 10.1016/j.crchbi.2023.100045. Epub 2023 Sep 22. PMID: 38009092; PMCID: PMC10673624.

Characterization of 2,4-Dianilinopyrimidines Against Five P. falciparum Kinases PfARK1, PfARK3, PfNEK3, PfPK9, and PfPKB. Ong HW, de Silva C, Avalani K, Kwarcinski F, Mansfield CR, Chirgwin M, Truong A, Derbyshire ER, Zutshi R, Drewry DH. ACS Med Chem Lett. 2023 Nov 27;14(12):1774-1784. doi: 10.1021/acsmedchemlett.3c00354. PMID: 38116430; PMCID: PMC10726455.

Identification of potential inhibitors of casein kinase 2 alpha of Plasmodium falciparum with potent in vitro activity. Tomaz KCP, Tavella TA, Borba JVB, Salazar-Alvarez LC, Levandoski JE, Mottin M, Sousa BKP, Moreira-Filho JT, Almeida VM, Clementino LC, Bourgard C, Massirer KB, Couñago RM, Andrade CH, Sunnerhagen P, Bilsland E, Cassiano GC, Costa FTM. Antimicrob Agents Chemother. 2023 Nov 15;67(11):e0058923. doi: 10.1128/aac.00589-23. Epub 2023 Oct 11. PMID: 37819090; PMCID: PMC10649021.

Fused Tetrahydroquinolines Are Interfering with Your Assay. Bashore FM, Annor-Gyamfi J, Du Y, Katis V, Nwogbo F, Flax RG, Frye SV, Pearce KH, Fu H, Willson TM, Drewry DH, Axtman AD. J Med Chem. 2023 Nov 9;66(21):14434-14446. doi: 10.1021/acs.jmedchem.3c01277. Epub 2023 Oct 24. PMID: 37874947; PMCID: PMC10641811.

Dual Inhibition of Mycobacterium tuberculosis and the Host TGFBR1 by an Anilinoquinazoline. Nandakumar M, Ollodart A, Fleck N, Kapadia NR, Frando A, Boradia V, Smith JL, Chen J, Zuercher WJ, Willson TM, Grundner C. J Med Chem. 2023 Nov 9;66(21):14724-14734. doi: 10.1021/acs.jmedchem.3c01273. Epub 2023 Oct 23. PMID: 37871287.

Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Inniss NL, Kozic J, Li F, Rosas-Lemus M, Minasov G, Rybáček J, Zhu Y, Pohl R, Shuvalova L, Rulíšek L, Brunzelle JS, Bednárová L, Štefek M, Kormaník JM, Andris E, Šebestík J, Li ASM, Brown PJ, Schmitz U, Saikatendu K, Chang E, Nencka R, Vedadi M, Satchell KJF. ACS Infect Dis. 2023 Oct 13;9(10):1918-1931. doi: 10.1021/acsinfecdis.3c00203. Epub 2023 Sep 20. PMID: 37728236; PMCID: PMC10961098.

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5-a]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A. Yang X, Ong HW, Dickmander RJ, Smith JL, Brown JW, Tao W, Chang E, Moorman NJ, Axtman AD, Willson TM. ACS Omega. 2023 Oct 10;8(42):39546-39561. doi: 10.1021/acsomega.3c05377. PMID: 37901516; PMCID: PMC10600890.

Investigation of the Host Kinome Response to Coronavirus Infection Reveals PI3K/mTOR Inhibitors as Betacoronavirus Antivirals. Fritch EJ, Mordant AL, Gilbert TSK, Wells CI, Yang X, Barker NK, Madden EA, Dinnon KH 3rd, Hou YJ, Tse LV, Castillo IN, Sims AC, Moorman NJ, Lakshmanane P, Willson TM, Herring LE, Graves LM, Baric RS. J Proteome Res. 2023 Oct 6;22(10):3159-3177. doi: 10.1021/acs.jproteome.3c00182. Epub 2023 Aug 27. PMID: 37634194.

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

How many kinases are druggable? A review of our current understanding. Anderson B, Rosston P, Ong HW, Hossain MA, Davis-Gilbert ZW, Drewry DH. Biochem J. 2023 Aug 30;480(16):1331-1363. doi: 10.1042/BCJ20220217. PMID: 37642371; PMCID: PMC10586788.

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 Aug 10;66(15):10273-10288. doi: 10.1021/acs.jmedchem.3c00314. Epub 2023 Jul 27. PMID: 37499118; PMCID: PMC10424181.

Developing a Kinase Chemogenomic Set: Facilitating Investigation into Kinase Biology by Linking Phenotypes to Targets. Wells CI, Drewry DH. Methods Mol Biol. 2023;2706:11-24. doi: 10.1007/978-1-0716-3397-7_2. PMID: 37558938.

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

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

LKB1 signaling and patient survival outcomes in hepatocellular carcinoma. Nguyen K, Hebert K, McConnell E, Cullen N, Cheng T, Awoyode S, Martin E, Chen W, Wu T, Alahari SK, Izadpanah R, Collins-Burow BM, Lee SB, Drewry DH, Burow ME. Pharmacol Res. 2023 Jun;192:106757. doi: 10.1016/j.phrs.2023.106757. Epub 2023 Apr 5. PMID: 37023992.

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

conference abstract: 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

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

A host defense peptide mimetic, brilacidin, potentiates caspofungin antifungal activity against human pathogenic fungi. Dos Reis TF, de Castro PA, Bastos RW, Pinzan CF, Souza PFN, Ackloo S, Hossain MA, Drewry DH, Alkhazraji S, Ibrahim AS, Jo H, Lightfoot JD, Adams EM, Fuller KK, deGrado WF, Goldman GH. Nat Commun. 2023 Apr 12;14(1):2052. doi: 10.1038/s41467-023-37573-y. PMID: 37045836; PMCID: PMC10090755.

NEK Family Review and Correlations with Patient Survival Outcomes in Various Cancer Types. Nguyen K, Boehling J, Tran MN, Cheng T, Rivera A, Collins-Burow BM, Lee SB, Drewry DH, Burow ME. Cancers (Basel). 2023 Mar 30;15(7):2067. doi: 10.3390/cancers15072067. PMID: 37046733; PMCID: PMC10093199.

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

Reference compounds for characterizing cellular injury in high-content cellular morphology assays. Dahlin JL, Hua BK, Zucconi BE, Nelson SD Jr, Singh S, Carpenter AE, Shrimp JH, Lima-Fernandes E, Wawer MJ, Chung LPW, Agrawal A, O'Reilly M, Barsyte-Lovejoy D, Szewczyk M, Li F, Lak P, Cuellar M, Cole PA, Meier JL, Thomas T, Baell JB, Brown PJ, Walters MA, Clemons PA, Schreiber SL, Wagner BK. Nat Commun. 2023 Mar 13;14(1):1364. doi: 10.1038/s41467-023-36829-x. PMID: 36914634; PMCID: PMC10011410.

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.

Parasite and host kinases as targets for antimalarials. Ong HW, Adderley J, Tobin AB, Drewry DH, Doerig C. Expert Opin Ther Targets. 2023 Feb;27(2):151-169. doi: 10.1080/14728222.2023.2185511. Epub 2023 Mar 20. PMID: 36942408.

Methylation of the Hippo effector YAP by the methyltransferase SETD7 drives myocardial ischaemic injury: a translational study. Ambrosini S, Montecucco F, Kolijn D, Pedicino D, Akhmedov A, Mohammed SA, Herwig M, Gorica E, Szabó PL, Weber L, Russo G, Vinci R, Matter CM, Liuzzo G, Brown PJ, Rossi FMV, Camici GG, Sciarretta S, Beltrami AP, Crea F, Podesser B, Lüscher TF, Kiss A, Ruschitzka F, Hamdani N, Costantino S, Paneni F. Cardiovasc Res. 2023 Jan 18;118(17):3374-3385. doi: 10.1093/cvr/cvac102. PMID: 35709329.

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

An open source plant kinase chemogenomics set. Ercoli MF, Ramos PZ, Jain R, Pilotte J, Dong OX, Thompson T, Wells CI, Elkins JM, Edwards AM, Couñago RM, Drewry DH, Ronald PC. Plant Direct. 2022 Nov 25;6(11):e460. doi: 10.1002/pld3.460. PMID: 36447653; PMCID: PMC9694430.

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 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.

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.

A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Liu Y, Iqbal A, Li W, Ni Z, Wang Y, Ramprasad J, Abraham KJ, Zhang M, Zhao DY, Qin S, Loppnau P, Jiang H, Guo X, Brown PJ, Zhen X, Xu G, Mekhail K, Ji X, Bedford MT, Greenblatt JF, Min J. Nat Commun. 2022 Sep 16;13(1):5453. doi: 10.1038/s41467-022-33229-5. PMID: 36114190; PMCID: PMC9481570.

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.

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

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

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

Target 2035 - update on the quest for a probe for every protein. Müller S, Ackloo S, Al Chawaf A, Al-Lazikani B, Antolin A, Baell JB, Beck H, Beedie S, Betz UAK, Bezerra GA, Brennan PE, Brown D, Brown PJ, Bullock AN, Carter AJ, Chaikuad A, Chaineau M, Ciulli A, Collins I, Dreher J, Drewry D, Edfeldt K, Edwards AM, Egner U, Frye SV, Fuchs SM, Hall MD, Hartung IV, Hillisch A, Hitchcock SH, Homan E, Kannan N, Kiefer JR, Knapp S, Kostic M, Kubicek S, Leach AR, Lindemann S, Marsden BD, Matsui H, Meier JL, Merk D, Michel M, Morgan MR, Mueller-Fahrnow A, Owen DR, Perry BG, Rosenberg SH, Saikatendu KS, Schapira M, Scholten C, Sharma S, Simeonov A, Sundström M, Superti-Furga G, Todd MH, Tredup C, Vedadi M, von Delft F, Willson TM, Winter GE, Workman P, Arrowsmith CH. RSC Med Chem. 2021 Dec 3;13(1):13-21. doi: 10.1039/d1md00228g. PMID: 35211674; PMCID: PMC8792830.

Characterizing the role of the dark kinome in neurodegenerative disease - A mini review. Axtman AD.Biochim Biophys Acta Gen Subj. 2021 Dec;1865(12):130014. doi: 10.1016/j.bbagen.2021.130014. Epub 2021 Sep 20.PMID: 34547390

Exploration of Aberrant E3 Ligases Implicated in Alzheimer's Disease and Development of Chemical Tools to Modulate Their Function. Potjewyd FM, Axtman AD. Front Cell Neurosci. 2021 Nov 18;15:768655. doi: 10.3389/fncel.2021.768655. eCollection 2021.PMID: 34867205

Host-directed therapy, an untapped opportunity for antimalarial intervention.Wei L, Adderley J, Leroy D, Drewry DH, Wilson DW, Kaushansky A, Doerig C.Cell Rep Med. 2021 Oct 19;2(10):100423. doi: 10.1016/j.xcrm.2021.100423.PMID: 34693368

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

Design and Development of a Chemical Probe for Pseudokinase Ca2+/calmodulin-Dependent Ser/Thr Kinase. Russ N, Schröder M, Berger BT, Mandel S, Aydogan Y, Mauer S, Pohl C, Drewry DH, Chaikuad A, Müller S, Knapp S.J Med Chem. 2021 Oct 14;64(19):14358-14376. doi: 10.1021/acs.jmedchem.1c00845. Epub 2021 Sep 20.PMID: 34543009

Synthesis and Evaluation of Novel 1,2,6-Thiadiazinone Kinase Inhibitors as Potent Inhibitors of Solid Tumors. Kalogirou AS, East MP, Laitinen T, Torrice CD, Maffuid KA, Drewry DH, Koutentis PA, Johnson GL, Crona DJ, Asquith CRM.Molecules. 2021 Sep 29;26(19):5911. doi: 10.3390/molecules26195911.PMID: 34641454

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

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; PMCID: PMC8864761.

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

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

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

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

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

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.

A novel screening approach comparing kinase activity of small molecule inhibitors with similar molecular structures and distinct biologic effects in triple-negative breast cancer to identify targetable signaling pathways. Matossian MD, Burks HE, Elliott S, Hoang VT, Zuercher WJ, Wells C, Drewry DH, Kapadia N, Chang T, Yan T, Windsor GO, Nguyen K, Fang F, Nephew KP, Buechlein A, Rusch DB, Sabol RA, Ucar DA, Zabaleta J, Miele L, Bunnell BA, Collins-Burow BM, Burow ME.Anticancer Drugs. 2020 Sep;31(8):759-775. doi: 10.1097/CAD.0000000000000962.PMID: 32796402

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

NeuroChat with Research Assistant Professor Alison Axtman. Lindsley CW, Axtman AD.ACS Chem Neurosci. 2020 Sep 16;11(18):2783-2785. doi: 10.1021/acschemneuro.0c00548.PMID: 32933260

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

Synergistic drug combinations and machine learning for drug repurposing in chordoma. Anderson E, Havener TM, Zorn KM, Foil DH, Lane TR, Capuzzi SJ, Morris D, Hickey AJ, Drewry DH, Ekins S.Sci Rep. 2020 Jul 31;10(1):12982. doi: 10.1038/s41598-020-70026-w.PMID: 32737414

Identifying the Target of an Antiparasitic Compound in Toxoplasma Using Thermal Proteome Profiling. Herneisen AL, Sidik SM, Markus BM, Drewry DH, Zuercher WJ, Lourido S.ACS Chem Biol. 2020 Jul 17;15(7):1801-1807. doi: 10.1021/acschembio.0c00369. Epub 2020 Jul 6.PMID: 32597628

Targeting the Water Network in Cyclin G-Associated Kinase (GAK) with 4-Anilino-quin(az)oline Inhibitors. Asquith CRM, Tizzard GJ, Bennett JM, Wells CI, Elkins JM, Willson TM, Poso A, Laitinen T.ChemMedChem. 2020 Jul 3;15(13):1200-1215. doi: 10.1002/cmdc.202000150. Epub 2020 May 26.PMID: 32358915

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.

CDK12 inhibition reduces abnormalities in cells from patients with myotonic dystrophy and in a mouse model. Ketley A, Wojciechowska M, Ghidelli-Disse S, Bamborough P, Ghosh TK, Morato ML, Sedehizadeh S, Malik NA, Tang Z, Powalowska P, Tanner M, Billeter-Clark R, Trueman RC, Geiszler PC, Agostini A, Othman O, Bösche M, Bantscheff M, Rüdiger M, Mossakowska DE, Drewry DH, Zuercher WJ, Thornton CA, Drewes G, Uings I, Hayes CJ, Brook JD.Sci Transl Med. 2020 Apr 29;12(541):eaaz2415. doi: 10.1126/scitranslmed.aaz2415.PMID: 32350131

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.

Binding and structural analyses of potent inhibitors of the human Ca2+/calmodulin dependent protein kinase kinase 2 (CAMKK2) identified from a collection of commercially-available kinase inhibitors. Profeta GS, Dos Reis CV, Santiago ADS, Godoi PHC, Fala AM, Wells CI, Sartori R, Salmazo APT, Ramos PZ, Massirer KB, Elkins JM, Drewry DH, Gileadi O, Couñago RM.Sci Rep. 2019 Nov 11;9(1):16452. doi: 10.1038/s41598-019-52795-1.PMID: 31712618

Towards the Development of an In vivo Chemical Probe for Cyclin G Associated Kinase (GAK). Asquith CRM, Bennett JM, Su L, Laitinen T, Elkins JM, Pickett JE, Wells CI, Li Z, Willson TM, Zuercher WJ.Molecules. 2019 Nov 6;24(22):4016. doi: 10.3390/molecules24224016.PMID: 31698822

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. eCollection 2020 Mar 12.PMID: 32184967

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.

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; PMCID: PMC6944324.

Targeting an EGFR Water Network with 4-Anilinoquin(az)oline Inhibitors for Chordoma. Asquith CRM, Maffuid KA, Laitinen T, Torrice CD, Tizzard GJ, Crona DJ, Zuercher WJ. ChemMedChem. 2019 Oct 4;14(19):1693-1700. doi: 10.1002/cmdc.201900428. Epub 2019 Sep 23. PMID: 31424613.

Anti-tubercular activity of novel 4-anilinoquinolines and 4-anilinoquinazolines. Asquith CRM, Fleck N, Torrice CD, Crona DJ, Grundner C, Zuercher WJ. Bioorg Med Chem Lett. 2019 Sep 15;29(18):2695-2699. doi: 10.1016/j.bmcl.2019.07.012. Epub 2019 Jul 10. PMID: 31378571; PMCID: PMC6736633.

Utilizing comprehensive and mini-kinome panels to optimize the selectivity of quinoline inhibitors for cyclin G associated kinase (GAK). Asquith CRM, Treiber DK, Zuercher WJ. Bioorg Med Chem Lett. 2019 Jul 15;29(14):1727-1731. doi: 10.1016/j.bmcl.2019.05.025. Epub 2019 May 16. PMID: 31129055.

Gram-scale synthesis of FICZ, a photoreactive endogenous ligand of the aryl hydrocarbon receptor. Zhang C, Creech KL, Zuercher WJ, Willson TM.Sci Rep. 2019 Jul 10;9(1):9982. doi: 10.1038/s41598-019-46374-7.PMID: 31292477

RIOK2: straddling the kinase/ATPase line. Asquith CRM, East MP, Zuercher WJ. Nat Rev Drug Discov. 2019 Jul;18(8):574. doi: 10.1038/d41573-019-00107-7. PMID: 31367048.

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

A Perspective on Extreme Open Science: Companies Sharing Compounds without Restriction. Drewry DH, Wells CI, Zuercher WJ, Willson TM.SLAS Discov. 2019 Jun;24(5):505-514. doi: 10.1177/2472555219838210. Epub 2019 Apr 29.PMID: 31034310

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

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: 30347155

In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with β-Lactams To Inhibit Mycobacterial Growth. Wlodarchak N, Teachout N, Beczkiewicz J, Procknow R, Schaenzer AJ, Satyshur K, Pavelka M, Zuercher W, Drewry D, Sauer JD, Striker R. Mol Pharm. 2018 Nov 5;15(11):5410-5426. doi: 10.1021/acs.molpharmaceut.8b00905. Epub 2018 Oct 18. PMID: 30285456; PMCID: PMC6648700.

GW779439X and Its Pyrazolopyridazine Derivatives Inhibit the Serine/Threonine Kinase Stk1 and Act As Antibiotic Adjuvants against β-Lactam-Resistant Staphylococcus aureus. Schaenzer AJ, Wlodarchak N, Drewry DH, Zuercher WJ, Rose WE, Ferrer CA, Sauer JD, Striker R.ACS Infect Dis. 2018 Oct 12;4(10):1508-1518. doi: 10.1021/acsinfecdis.8b00136. Epub 2018 Aug 15.PMID: 30059625

Substrate binding allosterically relieves autoinhibition of the pseudokinase TRIB1. Jamieson SA, Ruan Z, Burgess AE, Curry JR, McMillan HD, Brewster JL, Dunbier AK, Axtman AD, Kannan N, Mace PD.Sci Signal. 2018 Sep 25;11(549):eaau0597. doi: 10.1126/scisignal.aau0597.PMID: 30254053

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 sulfation analysis: heparan sulfate 2-O-sulfotransferase (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, Liu J, Wells C, Drewry DH, Zuercher WJ, Berry NG, Fernig DG, Eyers PA.Biochem J. 2018 Aug 14;475(15):2417-2433. doi: 10.1042/BCJ20180265.PMID: 29934491

New tools for evaluating protein tyrosine sulfation: tyrosylprotein sulfotransferases (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 Aug 14;475(15):2435-2455. doi: 10.1042/BCJ20180266.PMID: 29934490

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. PMID: 30048526; PMCID: PMC6062112.

An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model. Price DJ, Drewry DH, Schaller LT, Thompson BD, Reid PR, Maloney PR, Liang X, Banker P, Buckholz RG, Selley PK, McDonald OB, Smith JL, Shearer TW, Cox RF, Williams SP, Reid RA, Tacconi S, Faggioni F, Piubelli C, Sartori I, Tessari M, Wang TY.Bioorg Med Chem Lett. 2018 Jun 1;28(10):1958-1963. doi: 10.1016/j.bmcl.2018.03.034. Epub 2018 Apr 5.PMID: 29653895

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

REDOR NMR Reveals Multiple Conformers for a Protein Kinase C Ligand in a Membrane Environment. Yang H, Staveness D, Ryckbosch SM, Axtman AD, Loy BA, Barnes AB, Pande VS, Schaefer J, Wender PA, Cegelski L.ACS Cent Sci. 2018 Jan 24;4(1):89-96. doi: 10.1021/acscentsci.7b00475. Epub 2018 Jan 2.PMID: 29392180

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

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. eCollection 2018 Jan 1.PMID: 30108900

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

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

Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. Theodoulou NH, Bamborough P, Bannister AJ, Becher I, Bit RA, Che KH, Chung CW, Dittmann A, Drewes G, Drewry DH, Gordon L, Grandi P, Leveridge M, Lindon M, Michon AM, Molnar J, Robson SC, Tomkinson NC, Kouzarides T, Prinjha RK, Humphreys PG.J Med Chem. 2016 Feb 25;59(4):1425-39. doi: 10.1021/acs.jmedchem.5b00256. Epub 2015 Apr 30.PMID: 25856009

Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. Chen P, Chaikuad A, Bamborough P, Bantscheff M, Bountra C, Chung CW, Fedorov O, Grandi P, Jung D, Lesniak R, Lindon M, Müller S, Philpott M, Prinjha R, Rogers C, Selenski C, Tallant C, Werner T, Willson TM, Knapp S, Drewry DH.J Med Chem. 2016 Feb 25;59(4):1410-24. doi: 10.1021/acs.jmedchem.5b00209. Epub 2015 Apr 6.PMID: 25799074

Discovery of Novel Small Molecules that Activate Satellite Cell Proliferation and Enhance Repair of Damaged Muscle. Billin AN, Bantscheff M, Drewes G, Ghidelli-Disse S, Holt JA, Kramer HF, McDougal AJ, Smalley TL, Wells CI, Zuercher WJ, Henke BR. ACS Chem Biol. 2016 Feb 19;11(2):518-29. doi: 10.1021/acschembio.5b00772. Epub 2016 Jan 7. PMID: 26696218

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

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.PMID: 26196764