In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19.

ABSTRACT: COVID-19 is one of the members of the coronavirus family that can easily assail humans. As of now, 10 million people are infected and above two million people have died from COVID-19 globally. Over the past year, several researchers have made essential advances in discovering potential drugs. Up to now, no efficient drugs are available on the market. The present study aims to identify the potent phytocompounds from different medicinal plants (Zingiber officinale, Cuminum cyminum, Piper nigrum, Curcuma longa, and Allium sativum). In total, 227 phytocompounds were identified and screened against the proteins S-ACE2 and M ^pro through structure-based virtual screening approaches. Based on the binding affinity score, 30 active phytocompounds

SUBMITTER: Sankar M 

PROVIDER: S-EPMC8288047 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature