What is it about?
In this study, the M2 protein of influenza A virus was selected as a target for various phytochemical compounds and an attempt was made to determine their inhibitory activity against the target protein using computational biology. Thus, seeking novel therapeutic strategies against the influenza A virus.
Featured Image
Photo by Fusion Medical Animation on Unsplash
Why is it important?
The pursuit for a lead compound involved in drug discovery and development is a long and exhausting endeavor, and one is frequently discouraged by the seemingly limitless options. Therefore, the integration of computational and experimental methodologies has simplified the path toward drug discovery. To discover and identify new potential molecules, various in-silico approaches have been adopted, for instance, ligand-based drug design (pharmacophore), structure-based drug design (drug-target docking), and shape-based screening.
Perspectives
The interaction of selected drug and target M2 protein can be analyzed through this method; however, more information could be obtained with the aid of the molecular simulation method. The theoretical evaluation of binding affinities (kcal/mol) of some phytochemical ligands was carried out to validate their potency and identify a possible lead molecule for designing a potential drug.
Tisha Jain
Ludwig-Maximilians-Universitat Munchen
Read the Original
This page is a summary of: IN SILICO PREDICTION OF POTENTIAL INHIBITORS FOR THE M2 PROTEIN OF INFLUENZA A VIRUS USING MOLECULAR DOCKING STUDIES, Asian Journal of Pharmaceutical and Clinical Research, August 2022, Innovare Academic Sciences Pvt Ltd,
DOI: 10.22159/ajpcr.2022.v15i8.44608.
You can read the full text:
Contributors
The following have contributed to this page
