Matthieu Schapira, PhD is a Professor in the Department of Pharmacology and Toxicology, UofT, and is the head of computational chemistry, protein bioinformatics, and data management at the SGC-Toronto. He leads the CACHE initiative for benchmarking computational ‘hit finding’. Dr. Schapira is a recognized authority in the structural chemistry of drug target classes such as chromatin regulators, ubiquitylation pathways and WDR proteins, and has created popular online informatics resources for these targets such as Chromohub, Ubihub and ChemBioPort. He is interested in novel strategies to expand and ML tools to exploit the accessible chemistry space. His trainees have gone on to become important innovators in AI-driven drug discovery at Toronto-born biotechs such as Atomwise and Cyclica.
Li F, Ackloo S, Arrowsmith CH, Ban F, Barden CJ, Beck H, Beránek J, Berenger F, Bolotokova A, Bret G, Breznik M, Carosati E, Chau I, Chen Y, Cherkasov A, Corte DD, Denzinger K, Dong A, Draga S, Dunn I, Edfeldt K, Edwards A, Eguida M, Eisenhuth P, Friedrich L, Fuerll A, Gardiner SS, Gentile F, Ghiabi P, Gibson E, Glavatskikh M, Gorgulla C, Guenther J, Gunnarsson A, Gusev F, Gutkin E, Halabelian L, Harding RJ, Hillisch A, Hoffer L, Hogner A, Houliston S, Irwin JJ, Isayev O, Ivanova A, Jacquemard C, Jarrett AJ, Jensen JH, Kireev D, Kleber J, Koby SB, Koes D, Kumar A, Kurnikova MG, Kutlushina A, Lessel U, Liessmann F, Liu S, Lu W, Meiler J, Mettu A, Minibaeva G, Moretti R, Morris CJ, Narangoda C, Noonan T, Obendorf L, Pach S, Pandit A, Perveen S, Poda G, Polishchuk P, Puls K, Pütter V, Rognan D, Roskams-Edris D, Schindler C, Sindt F, Spiwok V, Steinmann C, Stevens RL, Talagayev V, Tingey D, Vu O, Walters WP, Wang X, Wang Z, Wolber G, Wolf CA, Wortmann L, Zeng H, Zepeda CA, Zhang KYJ, Zhang J, Zheng S, Schapira M
J Chem Inf Model. 2024 . doi: 10.1021/acs.jcim.4c01267
PMID: 39499532Rovers E, Schapira M
J Chem Inf Model. 2024 64(15):6162-6173. doi: 10.1021/acs.jcim.4c00426
PMID: 39087481Angela Kwak H, Liu L, Tredup C, Röhm S, Prinos P, Böttcher J, Schapira M
Drug Discov Today. 2024 104144. doi: 10.1016/j.drudis.2024.104144
PMID: 39179147Edfeldt K, Edwards AM, Engkvist O, Günther J, Hartley M, Hulcoop DG, Leach AR, Marsden BD, Menge A, Misquitta L, Müller S, Owen DR, Schütt KT, Skelton N, Steffen A, Tropsha A, Vernet E, Wang Y, Wellnitz J, Willson TM, Clevert DA, Haibe-Kains B, Schiavone LH, Schapira M
Nat Commun. 2024 15(1):5640. doi: 10.1038/s41467-024-49777-x
PMID: 38965235Bedart C, Shimokura G, West FG, Wood TE, Batey RA, Irwin JJ, Schapira M
Sci Data. 2024 11(1):597. doi: 10.1038/s41597-024-03443-5
PMID: 38844472Mann MK, Wolf E, Silva M, Kwak HA, Wilson B, Bolotokova A, Wilson DJ, Harding RJ, Schapira M
ACS Omega. 2024 9(1):917-924. doi: 10.1021/acsomega.3c07070
PMID: 38222562Rovers E, Schapira M
Methods Enzymol. 2023 690:311-340. doi: 10.1016/bs.mie.2023.06.020
PMID: 37858533Rovers E, Liu L, Schapira M
Comput Struct Biotechnol J. 2022 20:6163-6171. doi: 10.1016/j.csbj.2022.11.010
PMID: 36420167Liu L, Rovers E, Schapira M
Database (Oxford). 2022 2022:. doi: 10.1093/database/baac088
PMID: 36164975Dilworth D, Hanley RP, Ferreira de Freitas R, Allali-Hassani A, Zhou M, Mehta N, Marunde MR, Ackloo S, Carvalho Machado RA, Khalili Yazdi A, Owens DDG, Vu V, Nie DY, Alqazzaz M, Marcon E, Li F, Chau I, Bolotokova A, Qin S, Lei M, Liu Y, Szewczyk MM, Dong A, Kazemzadeh S, Abramyan T, Popova IK, Hall NW, Meiners MJ, Cheek MA, Gibson E, Kireev D, Greenblatt JF, Keogh MC, Min J, Brown PJ, Vedadi M, Arrowsmith CH, Barsyte-Lovejoy D, James LI, Schapira M
Nat Chem Biol. 2021 . doi: 10.1038/s41589-021-00898-0
PMID: 34782742Kwak HA, Liu L, Schapira M
Database (Oxford). 2024-12-15 . 2024: .doi: 10.1093/database/baae116
PMID: 39657145Li F, Ackloo S, Arrowsmith CH, Ban F, Barden CJ, Beck H, Beránek J, Berenger F, Bolotokova A, Bret G, Breznik M, Carosati E, Chau I, Chen Y, Cherkasov A, Corte DD, Denzinger K, Dong A, Draga S, Dunn I, Edfeldt K, Edwards A, Eguida M, Eisenhuth P, Friedrich L, Fuerll A, Gardiner SS, Gentile F, Ghiabi P, Gibson E, Glavatskikh M, Gorgulla C, Guenther J, Gunnarsson A, Gusev F, Gutkin E, Halabelian L, Harding RJ, Hillisch A, Hoffer L, Hogner A, Houliston S, Irwin JJ, Isayev O, Ivanova A, Jacquemard C, Jarrett AJ, Jensen JH, Kireev D, Kleber J, Koby SB, Koes D, Kumar A, Kurnikova MG, Kutlushina A, Lessel U, Liessmann F, Liu S, Lu W, Meiler J, Mettu A, Minibaeva G, Moretti R, Morris CJ, Narangoda C, Noonan T, Obendorf L, Pach S, Pandit A, Perveen S, Poda G, Polishchuk P, Puls K, Pütter V, Rognan D, Roskams-Edris D, Schindler C, Sindt F, Spiwok V, Steinmann C, Stevens RL, Talagayev V, Tingey D, Vu O, Walters WP, Wang X, Wang Z, Wolber G, Wolf CA, Wortmann L, Zeng H, Zepeda CA, Zhang KYJ, Zhang J, Zheng S, Schapira M
J Chem Inf Model. 2024-11-5 . .doi: 10.1021/acs.jcim.4c01267
PMID: 39499532Ackloo S, Li F, Szewczyk M, Seitova A, Loppnau P, Zeng H, Xu J, Ahmad S, Arnautova YA, Baghaie AJ, Beldar S, Bolotokova A, Centrella PA, Chau I, Clark MA, Cuozzo JW, Dehghani-Tafti S, Disch JS, Dong A, Dumas A, Feng JA, Ghiabi P, Gibson E, Gilmer J, Goldman B, Green SR, Guié MA, Guilinger JP, Harms N, Herasymenko O, Houliston S, Hutchinson A, Kearnes S, Keefe AD, Kimani SW, Kramer T, Kutera M, Kwak HA, Lento C, Li Y, Liu J, Loup J, Machado RAC, Mulhern CJ, Perveen S, Righetto GL, Riley P, Shrestha S, Sigel EA, Silva M, Sintchak MD, Slakman BL, Taylor RD, Thompson J, Torng W, Underkoffler C, von Rechenberg M, Walsh RT, Watson I, Wilson DJ, Wolf E, Yadav M, Yazdi AK, Zhang J, Zhang Y, Santhakumar V, Edwards AM, Barsyte-Lovejoy D, Schapira M, Brown PJ, Halabelian L, Arrowsmith CH
J Med Chem. 2024-11-4 . .doi: 10.1021/acs.jmedchem.4c02010
PMID: 39495097Angela Kwak H, Liu L, Tredup C, Röhm S, Prinos P, Böttcher J, Schapira M
Drug Discov Today. 2024-8-21 . 104144 .doi: 10.1016/j.drudis.2024.104144
PMID: 39179147Rovers E, Schapira M
J Chem Inf Model. 2024-8-12 . 64(15):6162-6173 .doi: 10.1021/acs.jcim.4c00426
PMID: 39087481Edfeldt K, Edwards AM, Engkvist O, Günther J, Hartley M, Hulcoop DG, Leach AR, Marsden BD, Menge A, Misquitta L, Müller S, Owen DR, Schütt KT, Skelton N, Steffen A, Tropsha A, Vernet E, Wang Y, Wellnitz J, Willson TM, Clevert DA, Haibe-Kains B, Schiavone LH, Schapira M
Nat Commun. 2024-7-5 . 15(1):5640 .doi: 10.1038/s41467-024-49777-x
PMID: 38965235Eguida M, Bret G, Sindt F, Li F, Chau I, Ackloo S, Arrowsmith C, Bolotokova A, Ghiabi P, Gibson E, Halabelian L, Houliston S, Harding RJ, Hutchinson A, Loppnau P, Perveen S, Seitova A, Zeng H, Schapira M, Rognan D
J Chem Inf Model. 2024-6-25 . .doi: 10.1021/acs.jcim.4c00601
PMID: 38916159Bedart C, Shimokura G, West FG, Wood TE, Batey RA, Irwin JJ, Schapira M
Sci Data. 2024-6-6 . 11(1):597 .doi: 10.1038/s41597-024-03443-5
PMID: 38844472Owens DDG, Maitland MER, Khalili Yazdi A, Song X, Reber V, Schwalm MP, Machado RAC, Bauer N, Wang X, Szewczyk MM, Dong C, Dong A, Loppnau P, Calabrese MF, Dowling MS, Lee J, Montgomery JI, O'Connell TN, Subramanyam C, Wang F, Adamson EC, Schapira M, Gstaiger M, Knapp S, Vedadi M, Min J, Lajoie GA, Barsyte-Lovejoy D, Owen DR, Schild-Poulter C, Arrowsmith CH
Nat Chem Biol. 2024-5-21 . .doi: 10.1038/s41589-024-01618-0
PMID: 38773330Yong D, Ahmad S, Mabanglo MF, Halabelian L, Schapira M, Ackloo S, Perveen S, Ghiabi P, Vedadi M
Biochemistry. 2024-5-10 . .doi: 10.1021/acs.biochem.4c00044
PMID: 38729622