“…Quantitative structure–activity (QSAR) analysis and homology modeling have found applications in several fields of research. 7 , 8 , 9 The molecular docking technique is frequently used to evaluate the binding affinities of drug candidates 10 , 11 , 12 as well as determine the appropriate orientations of the drug molecules in the protein-active region. Furthermore, in silico drug-likeness and absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties determinations virtually screen potential drug-like compounds with biological activity.…”