In silico approach: docking study of oxindole derivatives against the main protease of COVID-19 and its comparison with existing therapeutic agents

Abstract Objectives Presently, the pandemic of COVID-19 has worsened situation worldwide and received global attention. The United States America have highest numbers a patient infected by this disease followed Brazil, Russia, India many other countries. Moreover, lots research is going on to find out effective vaccines or medicine, but still, no potent vaccine drug discovered cure COVID-19. As consequence, types designated that computer-based studies, such as protein–ligand interactions, structural dynamics, chembio modeling are finest choice due its low cost time-saving features. Here, oxindole derivatives been chosen for docking because their immense pharmacological applications like antiviral, antidiabetic, anti-inflammatory, so on. Molecular 30 done crystallized structure protein (COVID-19 Mpro). Methods process docking, interaction, binding ligand with executed using Molegro Virtual Docker v.7.0.0 (MVD) visualized usage Viewer (MMV). Results Among derivatives, outcomes depicted better steric interaction hydrogen bonding amongst OD-22 ligand, OD-16 OD-4 OD-9 (oxindole derivatives) In addition this, comparative study these four compounds existing drugs under clinical trials shows comparatively good results in terms MolDock scores, H-bonding interactions. Conclusions Hence, It proposed potential new against coronavirus possible therapeutic agents.