“Molecular Docking Results in SARS COV-2 Drugs” – A Review

The process of generating vaccine-induced immunity is somewhat challenging in immunology. Currently, informatics paved the way for a better understanding of pathogenesis, diagnosis, immune system response and computational vaccinology. Immuno-informatics techniques were used in the current review to forecast the antigenic epitopes against SARS-CoV-2 for the creation of the coronavirus vaccine. The coronavirus protein encoding SARS-CoV-2 was anticipated to include T-lymphocyte and B-cell epitopes. AutoDock Main Protease, the Protein Data Bank was used to obtain the three-dimensional crystal structure of the MPRO, and MetaPocket 2.0, to predict the active site. The study was focused on Molecular Docking and dynamics simulations, to identify potential targets for novel compounds, the spike protein-ACE-2 interface complex, ACE-2 receptor, Spike protein, and Furin. All target proteins were compared to novel target compounds in clinical development and to presently available medicines that had been repurposed.