Synthesis, Molecular Docking, Molecular Dynamic Simulation Studies, and Antitubercular Activity Evaluation of Substituted Benzimidazole Derivatives

Table 3

Glide docking score of synthesized compounds (1–12) in the active of Mtb KasA protein (PDB ID: 6P9K).

Compound code	Docking score
1	−5.149
2	−7.541
3	−5.869
4	−5.948
5	−6.557
6	−6.651
7	−7.368
8	−7.173
9	−6.331
10	−6.331
11	−6.143
12	−6.188
Cocrystal ligand	−7.101