DESIGN, INSILICO SCREENING, MOLECULAR DOCKING, SYNTHESIS AND BIOLOGICAL EVALUATION OF BENZO-FUSED FIVE MEMBERED NITROGEN CONTAINING HETEROCYCLE AGAINST DNA GYRASE SUBUNIT B AS POTENTIAL ANTIMICROBIAL AGENT

Patil Tejaswini D*, Amrutkar Sunil V

Progressive Education Society’s, Modern College of Pharmacy, Nigadi, Pune, Maharashtra, IndiaProgressive Education Society’s, Modern College of Pharmacy, Nigadi, Pune, Maharashtra, India

ABSTRACT

Because of its function in DNA replication, DNA gyrase subunit B (1KZN) is a promising target for antimicrobial drug development. There is an urgent requirement for the designing and improvement of novel antimicrobial drugs due to the rapid development of antimicrobial drug resistance. The aim of this study is to use molecular docking to design, synthesise, and identify benzo-fused five-membered nitrogen containing heterocycle against DNA gyrase subunit B (1KZN). Using an effective procedure, 2-(1H-1,2,3-Benzotriazol-1-yl)-N-substituted acetamide was synthesised based on the literature review. The antimicrobial activity of all synthesised compounds was tested against four different organisms: E. coli, P. aeruginosa, S. aureus, and Candida albicans. The compound binds to the active site of DNA gyrase subunit B (1KZN) in a docking study, indicating that it may have antimicrobial activity. The compounds BT4 and BT6 have the antimicrobial capacity, according to the findings of this report. BT3 has the ability to be an antibacterial agent for Staphylococcus aureus.

Keywords:

Benzotriazole, molecular docking, antimicrobial, DNA gyrase, in silico