Computational Screening of Plant-Derived Natural Products against SARS-CoV-2 Variants

Computational Screening of Plant-Derived Natural Products against SARS-CoV-2 Variants

The present study explores the efficacy of plant-derived natural products (PDNPs) against spike glycoproteins (S-glycoprotein) of SARS-CoV-2 variants using molecular docking, ADMET, molecular dynamics (MD) simulation and density-functional theory (DFT) analysis. In all, 100 PDNPs were screened again...

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Bibliographic Details
Main Authors:	Waseem Ahmad Ansari, Mohd Aamish Khan, Fahmina Rizvi, Kajim Ali, Mohd Kamil Hussain, Mohammad Saquib, Mohammad Faheem Khan
Format:	Article
Language:	English
Published:	MDPI AG 2022-11-01
Series:	Future Pharmacology
Subjects:	SARS-CoV-2 variants plant-derived natural products molecular docking molecular dynamic simulation Density-Functional Theory
Online Access:	https://www.mdpi.com/2673-9879/2/4/34

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