Benzothiazole‐Hydrazone Chromophores: Synthesis, Solvatochromism, Computational and Antimycobacterial Activity Studies

Abstract

Coumarin and its heterocyclic derivatives have been receiving tremendous attention from synthetic and medicinal chemists owing to their remarkable application in material science as well as pharmacological applications. In the current study, a series of coumarin-coupled benzothiazole hydrazone compounds were synthesized by a two-step process, post which their structural features were investigated with the aid of various spectroscopic techniques. The novel synthesized chromophores displayed an electronic absorption band in a range of 358-428 nm and exhibited a positive solvatochromism character as well as a high molar absorption coefficient in the studied solvents. HOMO-LUMO gap, quantum parameters, and various other pharmacokinetics and ADME-T properties of these compounds were investigated through the computational approach. Biological activity assays revealed that all compounds displayed excellent antibacterial activity compared to the Amoxicillin and have also been studied for their antimycobacterial efficacy against Mycobacterium tuberculosis. Furthermore, molecular docking studies was performed with enoyl-acyl carrier protein reductase (InhA).