Molecular docking studies on natural and synthetic analogues of curcumin with mprotease for SARS-CoV-2 activating enzyme inhibition

P Venugopalan; Karthika S

Vol. 5, Issue 5 (2021)

Molecular docking studies on natural and synthetic analogues of curcumin with mprotease for SARS-CoV-2 activating enzyme inhibition

Authors
P Venugopalan, Karthika S

Abstract
The inhibitory activity of four naturally occurring curcuminoids and 50 synthetic analogues curcumin with Mpro from SARS-CoV-2 using molecular docking are studied. The binding affinity values obtained from docking studies, 2D diagrams of receptor– ligand complex, the nature of interaction between amino acid residues of Mpro with the ligands and surface diagrams indicating effective binding of ligand in the pocket region of protein are presented.

Download | Pages : 5-9

How to cite this article:

P Venugopalan, Karthika S. Molecular docking studies on natural and synthetic analogues of curcumin with mprotease for SARS-CoV-2 activating enzyme inhibition. International Journal of Chemical Science, Volume 5, Issue 5, 2021, Pages 5-9