A Chitosan Hydrochloride Mediated, Simple and Efficient Approach for the Synthesis of Hydrazones, their in vitro Antimycobacterial Evaluations, and Molecular Modeling Studies (Part III)

Abstract

A simple, eco-friendly and straightforward synthesis of hydrazones have been devised in the presence of Chitosan Hydrochloride as catalyst in aqueous-ethanol medium at room temperature. The current protocol offers metal-free synthesis, adaptability to large-scaleup, good yields, and quicker reaction time. All synthesized hydrazones (3a-3j) were also depicted good antimycobacterial activity with MICs (minimum inhibitory concentrations) ranging from 3.12-6.25 µg/mL. Compound 3b represented strong binding affinity against M. tuberculosis pantothenate synthetase (pdb id: 3IVX) with a Glide docking score of -8.803 kcal/mol. Molecular dynamics simulation analysis of the complex 3b:3IVX retained good stability over the simulation period of 20 ns.