Study of In Silico on Schiff Base Ligand Against Mycobacterium Tuberculosis

Here, we have synthesized the hetero-atoms containing; 3, 4, 6–Triazabicyclo [6, 1] dodeca–1 (12), 2, 6, 8, 10–pentene–5–thione (TBD) macrocyclic Schiff base ligand for application in antituberculosis (anti-TB). This TBD moiety has high donor ability due to presence of three nitrogen atoms, which are also reason interaction between and protein molecule. The is characterized by various spectroscopic techniques such as; Fourier-Transform Infrared (FT-IR), Proton Nuclear Magnetic Resonance (1HNMR), Ultraviolet-Visible (UV-Vis) Electron Spray Ionization (ESI) Mass spectroscopy, understand bond stretching, electronic environment protons, transitions (p–p* <em>n</em>–p*), M/Z values, respectively. computational study was carried out calculate molecular docking score using AutoDock Vina software against glutamine enzyme (PDB ID-3ZXR). –6.3 kcal mol<sup>-1</sup> ligand, whereas –4.6 reported standard drug (Pyrazinamide). product formation yield found be ~78 % during synthesis.