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

• Main Authors: Waseem Ahmad Ansari (Author), Mohd Aamish Khan (Author), Fahmina Rizvi (Author), Kajim Ali (Author), Mohd Kamil Hussain (Author), Mohammad Saquib (Author), Mohammad Faheem Khan (Author)
• Format: Book
• Published: MDPI AG, 2022-11-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...