Evaluation of Coronavirus Families & Covid-19 Proteins: Molecular Modeling Study

Abstract

Several Proteins, receptors, S proteins including s1 and s2 such as 6LU7, 6Q05, 4oW0, 6nur, 6Y84, 5zVK and 6vW1 were modeled and simulated via docking. All water molecules were deleted, then the covalently bound ligands were unbound from necessary places in those macromolecules including α, β double bond of the ligand, that behave as acceptors. The Structure Preparation modules of MOE were used to correct PDB inconsistencies and to assign the protonation state at biological ph. It is notable the structural knowledge of the CoV-RNA synthesis complexes was a structure of the NSP- RNA polymerase. Its structural gaps are containing information regarding the single N-terminal extension of the virus polymerases. CoV is partitioned into alpha, beta, gamma and delta categories. Among them the beta group initially consists of A, B, C, and D subunits.