ANTIMICROBIAL ACTIVITY, MOLECULAR DOCKING, SPECTROSCOPIC, DFT AND VIBRATIONAL ANALYSIS ON 3-(4 BROMOPHENYL)-1-METHOXY-1-METHYL UREA

Abstract

The main objective of the study is to analyze the spectral behaviour and antimicrobial activity of 3-(4 bromophenyl)-1- methoxy-1-methyl urea by experiment, theoretical spectroscopic, IR, Raman and UV-Vis techniques. The optimized geometrical parameters were reported on DFT/B3LYP/6-311++G (d, p) basis set of theory. Based on the potential distribution of energy, the detailed vibrational assignments of observed FT-IR and FT-Raman bands have been proposed. The distribution of vibrational modes was carried out by using normal coordinate analysis. Antimicrobial activity of BMM molecule was confirmed using molecular docking analysis. In vitro antimicrobial studies were carried out against the bacterial strains E. coli and Candida sp.