Targeting novel coronavirus SARS-CoV-2 spike protein with phytoconstituents of Momordica charantia.

ABSTRACT:

Background

Infections by the SARS-CoV-2 virus causing COVID-19 are presently a global emergency. The current vaccination effort may reduce the infection rate, but strain variants are emerging under selection pressure. Thus, there is an urgent need to find drugs that treat COVID-19 and save human lives. Hence, in this study, we identified phytoconstituents of an edible vegetable, Bitter melon (Momordica charantia), that affect the SARS-CoV-2 spike protein.

Methods

Components of Momordica charantia were tested to identify the compounds that bind to the SARS-CoV-2 spike protein. An MTiOpenScreen web-server was used to perform docking studies. The Lipinski rule was utilized to evaluate potential interactions between the drug and other target molecules. PyMol and Schrodinger soft

SUBMITTER: Singh SK 

PROVIDER: S-EPMC8474883 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature