Investigation of some 3-substituted-2(3H)-benzoxazolone derivatives against caspase-3 : A molecular docking study

In the development of pharmacological probes, 2(3H)-benzoxazolones are viewed as privileged scaffolds. The functionalization nitrogen atom at third position 2(3H)-benzoxazolone moiety is importance because electrical properties this can be crucial for biological activity. purpose study was to use in silico techniques examine affinities 3-substituted-2(3H)-benzoxazolone derivatives against caspase-3 enzyme. These compounds predicted have strong anticancer action on several cancer cell lines. order determine potential binding modes with similar structures synthesized and earlier studies caspase-3, molecular docking were conducted. It found that majority formed hydrogen bonds Arg207 amino acid residue, which thought activities. design manufacture future therapeutic may therefore benefit from understanding provided by research.