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.
Liu L, Damerell DR, Koukouflis L, Tong Y, Marsden BD, Schapira M
Bioinformatics. 2019 . doi: 10.1093/bioinformatics/bty1067
PMID: 30601939Ferreira de Freitas R, Harding RJ, Franzoni I, Ravichandran M, Mann MK, Ouyang H, Lautens M, Santhakumar V, Arrowsmith CH, Schapira M
J. Med. Chem.. 2018 . doi: 10.1021/acs.jmedchem.8b00258
PMID: 29741882Ferreira de Freitas R, Schapira M
Medchemcomm. 2017 8(10):1970-1981. doi: 10.1039/c7md00381a
PMID: 29308120Schapira M, Tyers M, Torrent M, Arrowsmith CH
Nat Rev Drug Discov. 2017 . doi: 10.1038/nrd.2017.179
PMID: 29026209Schapira M, Halabelian L, Arrowsmith CH, Harding RJ
Nat Chem Biol. 2024-3-8 . .doi: 10.1038/s41589-024-01570-z
PMID: 38459278Mann MK, Wolf E, Silva M, Kwak HA, Wilson B, Bolotokova A, Wilson DJ, Harding RJ, Schapira M
ACS Omega. 2024-1-9 . 9(1):917-924 .doi: 10.1021/acsomega.3c07070
PMID: 38222562Rovers E, Schapira M
Methods Enzymol. 2023-10-20 . 690:311-340 .doi: 10.1016/bs.mie.2023.06.020
PMID: 37858533Harding 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. 2023-7-27 . .doi: 10.1021/acs.jmedchem.3c00314
PMID: 37499118Kimani 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. 2023-6-23 . .doi: 10.1021/acs.jcim.3c00082
PMID: 37350740Ackloo 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. 2023-6-22 . 14(6):1002-1011 .doi: 10.1039/d2md00441k
PMID: 37360399Aakula A, Sharma M, Tabaro F, Nätkin R, Kamila J, Honkanen H, Schapira M, Arrowsmith C, Nykter M, Westermarck J
Life Sci Alliance. 2023-3-2 . 6(5): .doi: 10.26508/lsa.202301928
PMID: 36858798Rovers E, Liu L, Schapira M
Comput Struct Biotechnol J. 2022-11-25 . 20:6163-6171 .doi: 10.1016/j.csbj.2022.11.010
PMID: 36420167Liu L, Rovers E, Schapira M
Database (Oxford). 2022-9-27 . 2022: .doi: 10.1093/database/baac088
PMID: 36164975Barghout SH, Mann MK, Aman A, Yu Y, Alteen MG, Schimmer AD, Schapira M, Arrowsmith CH, Barsyte-Lovejoy D
ACS Chem Biol. 2022-9-9 . .doi: 10.1021/acschembio.2c00451
PMID: 36084291