In silico screening of potential compounds from begonia genus as 3CL protease (3Cl pro) SARS-CoV-2 inhibitors.

ABSTRACT:

Background

The emergence of Coronavirus disease (COVID-19) has been declared a pandemic and made a medical emergency worldwide. Various attempts have been made, including optimizing effective treatments against the disease or developing a vaccine. Since the SARS-CoV-2 protease crystal structure has been discovered, searching for its inhibitors by in silico technique becomes possible.

Objective

This study aims to virtually screen the potential of phytoconstituents from the Begonia genus as 3Cl pro-SARS-CoV- 2 inhibitors, based on its crucial role in viral replication, hence making these proteases "promising" for the anti-SARS-CoV-2 target.

Methods

In silico screening was carried out by molecular docking on the web-based program DockThor and validated by a

SUBMITTER: Maulana S 

PROVIDER: S-EPMC10365649 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature