Bioprospecting phytochemicals of Rosmarinus officinalis L. for targeting SARS-CoV-2 main protease (M^pro): a computational study.

ABSTRACT:

Context

The persistent spread of highly contagious COVID-19 disease is one of the deadliest occurrences in the history of mankind. Despite the distribution of numerous efficacious vaccines and their extensive usage, the perpetual effectiveness of immunization is being catechized. Therefore, discovering an alternative therapy to control and prevent COVID-19 infections has become a top priority. The main protease (M^pro) plays a key role in viral replication, making it an intriguing pharmacological target for SARS-CoV-2.

Methods

In this context, virtual screening of thirteen bioactive polyphenols and terpenoids of Rosmarinus officinalis L. was performed using several computational modules including molecular docking, ADMET, drug-likeness characteristics, and molecula

SUBMITTER: Patel U 

PROVIDER: S-EPMC10141822 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature