In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools.

ABSTRACT:

Background

This world is currently witnessing a pandemic outbreak of 'COVID-19' caused by a positive-strand RNA virus 'SARS-CoV-2'. Millions have succumbed globally to the disease, and the numbers are increasing day by day. The viral genome enters into the human host through interaction between the spike protein (S) and host angiotensin-converting enzyme-2 (ACE2) proteins. S is the common target for most recently rolled-out vaccines across regions. A recent surge in single/multiple mutations in S region is of great concern as it may escape vaccine induced immunity. So far, the treatment regime with repurposed drugs has not been too successful.

Hypothesis

Natural compounds are capable of targeting mutated spike protein by binding to its active site and destabilizing the spike

SUBMITTER: Nag A 

PROVIDER: S-EPMC8401086 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature