Figure 7.

Virtual Screening: (A) Virtual screening studies for ICL using Zinc library of 18,000 compounds showing the binding energies ranging from the −3 to −12 kcal/mol. The resulted showed that about 3852 compounds docked at same position with the binding energies of −7 to −7.5 kcal/mol (brown color). (B) showing the overall summary of virtual screening from total of 18,00 compounds to 10, 000 high ranked compounds and finally resulted in the identification of six potential inhibitors i.e., ZINC95543764, ZINC02688148, ZINC20115475, ZINC04232055, ZINC04231816, and ZINC04259566.