Plant-derived antiviral compounds study for drug designing against replicase polyprotein1ab of SARS-COV2: silico- approach

Covid-19 is caused by severe acute respiratory syndrome (SARS) and that leads to millions of death around the World so indeed there are over 90 vaccines are designed against it. For drug designing, we used Bioinformatics technology and the target is one of the important proteins of covid-19 i.e, Replication Poly- protein 1ab which is 7096 amino acids long and 794,058 Da in weight and one of its important domains is host translation inhibitor nsp1which inhibits host translation by associating with the open head conformation of the 40S subunit. For this experiment, we collected data of 50 antiviral compounds from various medicinal plants. Docking was performed with these compounds, combined with our target i.e, protein of the virus. Docking was done by using MVD followed by virtualization of the compound’s 3D structure on Pymol. After getting all the results, select the result having the best docking score that means compounds having the lowest docking score for further steps of drug designing.