shows a repulsive force, (Figure . A. and 7). Although, the ligand, PDB-ID: 7SDR, gained a critical binding interaction with Anchorcategory residue (Gly-A-167), resulted in a better total IC50 value, than the ligand PDB-ID: 7JRN, IC50 value 0.67 μM and 2.3 μM respectively. However, by avoiding the addition of this pharmacophoric feature (hydrogen bond donor; hydroxyl group) in this 3Dgeometric space (on para-position on the phenyl ring) and substituting it with metaposition on the phenyl ring, results avoiding clash of unfavorable interaction and a better IC50 value of 0.11 μM in the ligand, PDB-ID: 7LBS. This shows that binding to the critical Anchor-category residues and avoiding clashes is essential in increasing efficacy and potency. The rest of the binding site is less prioritized for the low frequency and strength of interaction, falling in the Non-hotspots class.