Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding

The main protease (Mpro) of SARS-CoV-2 is central to viral maturation and is a promising drug target, but little is known about structural aspects of how it binds to its 11 natural cleavage sites. We used biophysical and crystallographic data and an array of biomolecular simulation techniques, inclu...

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Bibliographic Details
Main Authors:	Chan, HTH, Moesser, MA, Walters, RK, Malla, TR, Twidale, RM, John, T, Deeks, HM, Johnston-Wood, T, Mikhailov, V, Sessions, RB, Dawson, W, Saleh, E, Lukacik, P, Strain-Damerell, C, Owen, CD, Nakajima, T, Swiderek, K, Lodola, A, Moliner, V, Glowacki, DR, Spencer, J, Walsh, MAA, Schofield, CJ, Genovese, L, Shoemark, DK, Mulholland, AJ, Duarte, F, Morris, GM
Format:	Journal article
Language:	English
Published:	Royal Society of Chemistry 2021

Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding

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