Open AccessMolecular Docking Study of Several Antiviral Drugs to Defeat Covid-19
Author(s) -
Jasdev Singh Tuteja,
Priti Patidar,
Shilpa Elsa Mathew,
Anil Prajapati
Publication year - 2020
Publication title -
mapana journal of sciences
Language(s) - English
Resource type - Journals
ISSN - 0975-3303
DOI - 10.12723/mjs.54.4
Subject(s) - telaprevir , docking (animal) , covid-19 , protein data bank (rcsb pdb) , simeprevir , virtual screening , middle east respiratory syndrome coronavirus , middle east respiratory syndrome , virology , drug , antiviral drug , pharmacology , medicine , drug discovery , computational biology , virus , biology , bioinformatics , chemistry , stereochemistry , infectious disease (medical specialty) , ribavirin , hepatitis c virus , nursing , disease
Corona virus is one of the significant pathogens that destructs the human respiratory functioning. Deaths and casualties caused by coronaviruses (CoVs) include the severe acute respiratory syndrome (SARS)-CoV and the Middle East respiratory syndrome (MERS)-CoV. The aim of the work was to compare several antiviral drugs and find out which is the most active drug that might be used in treatment for COVID -19. In this study Molecular Docking approach was used to determine the binding affinities of 62 antiviral molecules. The study was carried out using Molegro Virtual Docker 6.0 with PDB 2GTB procured from RCSB Protein Data Bank. Simeprevir and Telaprevir were discovered to be most potent having high MolDock and Rerank scores of -225.158, -78.4383 and -209.467, -136.155 respectively. Further studies may be conducted to design more potent analogue and defeat COVID-19.