Molecular docking of some Triphenyltin (IV) aminobenzoate compounds as potential antiviral agents

Abstract

The triphenyltin (IV) hydroxide reaction by 2-, 3-, as well as 4-aminobenzoic acid was used to analyze the molecular docking of some triphenyltin (IV) aminobenzoate compounds in this research. These include; triphenyltin (IV) 2-aminobenzoate (2), triphenyltin (IV) 3-aminobenzoate (3) as well as triphenyltin (IV) 4-aminobenzoate (4) were well characterized by means of some spectroscopy techniques and microelemental analysis. The molecular docking was conducted on protein isolated from SARS-Cov-2 virus. The protein chosen was MPro and was docked toward the three compounds synthesized and compared with the commercial drug used for the treatment of virus, boceprevir. Based on the analysis of the energy binding calculation, the result revealed that the energy binding of the compounds 2-4 was -9.74; -9.97 and 10.42kcal/mol, respectively, while for boceprevir was -9.60kcal/mol. These results indicated that the three compounds were stronger as antivirus than the standard drug used, thus they are potentially used and developed as drugs in the treatment of virus SARS-Cov-2.