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In-silico drug repurposing and molecular dynamics puzzled out potential SARS-CoV-2 main protease inhibitors

Herein, the DrugBank database which contains 10,036 approved and investigational drugs was explored deeply for potential drugs that target SARS-CoV-2 main protease (M(pro)). Filtration process of the database was conducted using three levels of accuracy for molecular docking calculations. The top 35...

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Detalhes bibliográficos
Publicado no:J Biomol Struct Dyn
Main Authors: Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Hegazy, Mohamed-Elamir F.
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7441803/
https://ncbi.nlm.nih.gov/pubmed/32684114
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1791958
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