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.
Schapira M, Tyers M, Torrent M, Arrowsmith CH
Nat Rev Drug Discov. 2017 . doi: 10.1038/nrd.2017.179
PMID: 29026209Ackloo 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: 36084291Ackloo 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. 2022-7-6 . 6(4):287-295 .doi: 10.1038/s41570-022-00363-z
PMID: 35783295Müller 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. 2022-1-27 . 13(1):13-21 .doi: 10.1039/d1md00228g
PMID: 35211674Harding RJ, Deme JC, Hevler JF, Tamara S, Lemak A, Cantle JP, Szewczyk MM, Begeja N, Goss S, Zuo X, Loppnau P, Seitova A, Hutchinson A, Fan L, Truant R, Schapira M, Carroll JB, Heck AJR, Lea SM, Arrowsmith CH
Commun Biol. 2021-12-8 . 4(1):1374 .doi: 10.1038/s42003-021-02895-4
PMID: 34880419Dilworth 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. 2021-11-15 . .doi: 10.1038/s41589-021-00898-0
PMID: 34782742Mann MK, Zepeda-Velázquez CA, González-Álvarez H, Dong A, Kiyota T, Aman AM, Loppnau P, Li Y, Wilson B, Arrowsmith CH, Al-Awar R, Harding RJ, Schapira M
J Med Chem. 2021-10-14 . .doi: 10.1021/acs.jmedchem.1c00889
PMID: 34648286