Design, Molecular Docking, Synthesis, and Antibacterial Activity of 1H-Benzimidazole-2-Carboxylic Acid (2-Oxo-1, 2-Dihydro-Indol-3-Ylidene)-Hydrazide Derivatives

Abstract

This study reports the synthesis, design, and in silico and in vitro antibacterial evaluation of six benzimidazole and isatin hybrid derivatives. All six compounds were synthesized in three steps – (i) synthesis of esters of benzimidazole-2-carbxylic acids, (ii) formation of hydrazides hydrazinolysis of carboxylic esters with hydrazine hydrate, and (iii) the condensation of hydrazide with carbonyl group of the desired isatin derivative to obtain the target hydazide Schiff bases. The docking scores of compounds ranged between −6.6 and −8.4 kcal/mol. Compound 1e possessed the same docking scores as the standard drug, Norfloxacin (−8.4). The results revealed that -Cl and -NO2 (electronegative groups) on benzimidazole as well as on isatin might be responsible for a good antibacterial activity. © 2023 Connect Journals