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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Bibliografiska uppgifter
I publikationen:J Biomol Struct Dyn
Huvudupphovsmän: Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Hegazy, Mohamed-Elamir F.
Materialtyp: Artigo
Språk:Inglês
Publicerad: Taylor & Francis 2020
Ämnen:
Research Article
Länkar: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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