Molecular docking tutorial using AutoDock 4.2.6 on SARS-CoV-2 main protease for beginner

The worldwide pandemic caused by coronavirus SARS-CoV-2 (so called as COVID-19 disease) has affected 219 countries and territories, leading to numerous deaths global financial crisis. main protease (Mpro) of plays an important role in mediating the transcription replication virus, thus, one therapeutic is find compounds that are capable inhibiting these enzymes soon possible. Nowadays, computer-aided drug design field discovery. In particular, molecular docking initial steps effectively screen number for their interaction binding affinity toward targeted enzyme, therefrom, suggesting a short list potential inhibitors further development processes. As part our ongoing program provide simple guideline scientific community utilize different tools research purposes. this article, complete manual Autodock 4.2.6 presented demonstrate simulation between PF-07321332 compound SARS-CoV-2, suggest effective tool scientists conduct reseach on disease.