Ultra-Large-Scale Screening of Natural Compounds and Free Energy Calculations Revealed Potential Inhibitors for the Receptor-Binding Domain (RBD) of SARS-CoV-2

Ultra-Large-Scale Screening of Natural Compounds and Free Energy Calculations Revealed Potential Inhibitors for the Receptor-Binding Domain (RBD) of SARS-CoV-2

The emergence of immune-evading variants of SARS-CoV-2 further aggravated the ongoing pandemic. Despite the deployments of various vaccines, the acquired mutations are capable of escaping both natural and vaccine-induced immune responses. Therefore, further investigation is needed to design a decisi...

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Bibliographic Details
Main Authors: Lisha Guo, Faryar Zafar, Nawal Moeen, Fahad M. Alshabrmi, Junqi Lin, Syed Shujait Ali, Muhammad Munir, Abbas Khan, Dongqing Wei
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Molecules
Subjects:
SARS-CoV-2
Deltacron
structure-based drugs
molecular simulations
free energy
Online Access:https://www.mdpi.com/1420-3049/27/21/7317

Internet

https://www.mdpi.com/1420-3049/27/21/7317

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