In-silico and in-vitro analysis of novel substituted benzimidazolyl derivatives for antimycobacterial potentials targeting enoyl acyl carrier protein reductase (InhA)

Future Journal of Pharmaceutical Sciences

Table 2 Docking score and MM/GBSA dG bind score of lead benzimidazolyl hydrazide derivatives

Compound	R₁	R₂	Docking score (kcal/mol)	MM/GBSA ΔG_bind Score (kcal/mol)
5a	–Cl	C₆H₅–	− 11.161	− 71.81
5b	–Cl	C₆H₅CO–	− 12.089	− 68.95
5c	–Cl	C₆H₄NO–	− 12.778	− 70.39
5d	–F	C₆H₅CO–	− 11.836	− 65.05
5e	0	C₆H₅–	− 11.2	− 70.32
5f	0	C₆H₅CO–	− 12.303	− 65.91
INH	–	–	− 10.283	− 67.39