Identifying SARS-CoV-2 Drugs Binding to the Spike Fatty Acid Binding Pocket Using In Silico Docking and Molecular Dynamics

Identifying SARS-CoV-2 Drugs Binding to the Spike Fatty Acid Binding Pocket Using In Silico Docking and Molecular Dynamics

Drugs against novel targets are needed to treat COVID-19 patients, especially as SARS-CoV-2 is capable of rapid mutation. Structure-based de novo drug design and repurposing of drugs and natural products is a rational approach to discovering potentially effective therapies. These in silico simulatio...

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Bibliographic Details
Main Authors: Sakshi Piplani, Puneet Singh, Nikolai Petrovsky, David A. Winkler
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:International Journal of Molecular Sciences
Subjects:
SARS-CoV-2
fatty acid binding pocket
drug repurposing
molecular docking
molecular dynamics
Online Access:https://www.mdpi.com/1422-0067/24/4/4192

Internet

https://www.mdpi.com/1422-0067/24/4/4192

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