Investigation of antiviral substances in Covid 19 by Molecular Docking: In Silico Study.

ABSTRACT:

Aims

This paper aimed to investigate the antiviral drugs against Sars-Cov-2 main protease (MPro) using in silico methods.

Material and method

A search was made for antiviral drugs in the PubChem database and antiviral drugs such as Bictegravir, Emtricitabine, Entecavir, Lamivudine, Tenofovir, Favipiravir, Hydroxychloroquine, Lopinavir, Oseltamavir, Remdevisir, Ribavirin, Ritonavir were included in our study. The protein structure of Sars-Cov-2 Mpro (PDB ID: 6LU7) was taken from the Protein Data Bank (www.rcsb. Org) system and included in our study. Molecular docking was performed using AutoDock/Vina, a computational docking program. Protein-ligand interactions were performed with the AutoDock Vina program. 3D visualizations were made with the Discovery Studio 2020 program. N

SUBMITTER: Oner E 

PROVIDER: S-EPMC10398506 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature