A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers

The main-protease (M(pro)) catalyzes a crucial step for the SARS-CoV-2 life cycle. The recent SARS-CoV-2 presents the main protease (M(CoV2)(pro)) with 12 mutations compared to SARS-CoV (M(CoV1)(pro)). Recent studies point out that these subtle differences lead to mobility variances at the active si...

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Bibliografiske detaljer
Udgivet i:J Biomol Struct Dyn
Main Authors: Rocha, Rafael E. O., Chaves, Elton J. F., Fischer, Pedro H. C., Costa, Leon S. C., Grillo, Igor Barden, da Cruz, Luiz E. G., Guedes, Fabiana C., da Silveira, Carlos H., Scotti, Marcus T., Camargo, Alex D., Machado, Karina S., Werhli, Adriano V., Ferreira, Rafaela S., Rocha, Gerd B., de Lima, Leonardo H. F.
Format: Artigo
Sprog:Inglês
Udgivet: Taylor & Francis 2021
Fag:
Research Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8127201/
https://ncbi.nlm.nih.gov/pubmed/33970798
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2021.1924271
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