Reckoning γ-Glutamyl-S-allylcysteine as a potential main protease (m^pro) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation.

ABSTRACT: Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2 or COVID-19), outbreak was first reported in December 2019 in the Wuhan, China. COVID-19 managed to spread worldwide and so far more than 9.1 million cases and more than 4.7 lakh death has been reported globally. Children, pregnant women, elderly population, immunocompromised patients, and patients with conditions like asthma, diabetes, etc. are highly vulnerable to COVID infection. Currently, there is no treatment available for COVID-19 infection. Traditional medicinal plants have provided bioactive molecules in the past that are efficiently used during conditions like cancer, malaria, microbial infections, immune-compromised states, etc. AYUSH India has recommended the use of Curcuma longa, Allium sativum, Ocimum tenuiflorum<

SUBMITTER: Parashar A 

PROVIDER: S-EPMC8204316 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature