Inhibition of SARS-CoV-2 3CL M^pro by Natural and Synthetic Inhibitors: Potential Implication for Vaccine Production Against COVID-19.

ABSTRACT: COVID-19 has created a pandemic situation all over the world. It has spread in nearly every continent. Researchers all over the world are trying to produce an effective vaccine against this virus, however; no specific treatment for COVID-19 has been discovered -so far. The current work describes the inhibition study of the SARS-CoV-2 main proteinase or 3CL M^pro by natural and synthetic inhibitors, which include 2S albumin and flocculating protein from Moringa oleifera (M. oleifera) and Suramin. Molecular Docking study was carried out using the programs like AutoDock 4.0, HADDOCK2.4, patchdock, pardock, and firedock. The global binding energy of Suramin, 2S albumin, and flocculating proteins were -41.96, -9.12, and -14.78 kJ/mol, respectively. The docking analysis i

SUBMITTER: Ullah A 

PROVIDER: S-EPMC8072276 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature