Synthesis, Characterization & Molecular Docking Study of Hydrazinylthiazole Derivatives as Antibacterial Agents

Abstract

Abstract Thiazole is a well-established scaffold due to its wide range of therapeutic activities. Moreover, the chromane nucleus is also associated with various biological activities such as antibacterial, anticancer, anti-inflammatory, and anti-HIV. We have reported herein thiazole derivatives clubbed with chromane nucleus intending to enhance the action as hybrid molecules. All the synthesized molecules have been confirmed based on spectroscopic techniques such as PMR, CMR, FT-IR & further supported by mass spectrometry. To check the potency of newly synthesized molecules, they have been evaluated against different strains of bacteria. Furthermore, to gain an insight into their plausible mechanism of action and thermodynamic interaction governing the binding of these molecules to their biological target, a molecular docking study was performed against bacterial DNA gyrase. The results of in silico binding affinity were found to be in harmony with the experimental activity. A complete design, synthesis, biological screening, and molecular docking experiment was planned and executed to lead with compounds exhibiting potential antibacterial activity. GRAPHICAL ABSTRACT