A Molecular Docking Investigation of SARS- CoV-2’s Main Protease against Phytocomponents of <i>Siddha</i> Formulation <i>Vishasura Kudineer</i>

Background: Covid-19 disease is a Wuhan, China originated acute viral respiratory illness. Even though the development of numerous vaccines, threat virus endures nearly two years after outbreak. The new mutant strain omicron has now spread to several countries. As result, newer antiviral therapy required overcome this scenario. Objective: This study aimed at phytocomponents in Siddha formulation, Vishasura Kudineer (VSK), it widely used manage fever and ailments may be effective combating ongoing pandemic novel coronavirus disease. Methodology: principal protease 3CLpro Coronavirus (SARS-CoV-2) possible focus for therapeutic since plays major part transmission. Molecular docking investigation all active Phytocomponents found formulation with targets was carried Protease SARS-CoV-2 (PDB ID:6LU7). AutoDockTools design optimize ligand structures. Results: 9 bioactive as Santalic acids (-6.39), Nimbolide (-6.38), Rutin, Aristolochic acid (-6.95), Glabridin (-7.53), Indirubin (-7.23), Sabinene (-5.36), β-vetivenene (-6.79), Zingiberene (-6.47) from sastric performed on Main protein’s site ID: 6LU7). These phytochemicals had significant molecular interaction residues, indicating their distinct inhibitory potencies. Conclusion: Whether could effectively treat COVID-19 its variants, further research clinical studies need done.