Multi-target potential of Indian phytochemicals against SARS-CoV-2: A docking, molecular dynamics and MM-GBSA approach extended to Omicron B.1.1.529.

ABSTRACT:

Background

SARS-CoV-2, an emerged strain of corona virus family became almost serious health concern worldwide. Despite vaccines availability, reports suggest the occurrence of SARS-CoV-2 infection even in a vaccinated population. With frequent evolution and expected multiple COVID-19 waves, improved preventive, diagnostic, and treatment measures are required. In recent times, phytochemicals have gained attention due to their therapeutic characteristics and are suggested as alternative and complementary treatments for infectious diseases. This present study aimed to identify potential inhibitors against reported protein targets of SARS-CoV-2.

Methodology

We computationally investigated potential SARS-CoV-2 protein targets from the literature and collected druggable phytochem

SUBMITTER: Roshni J 

PROVIDER: S-EPMC9101941 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature