Abstract

DESIGN, NOVEL SYNTHESIS AND DOCKINGSTUDIES OF N, N'- SUBSTITUTED UREA ANALOGUES AND EVALUATION OF THEIR ANTIMICROBIAL ACTIVITY

Jalapathi Pochampally*, Anil Valeru, Bhookya Shankar, Devender Mandala,
Srinivasarao Vankadari, Parthasarathy Tigulla

ABSTRACT

This paper represents the design and synthesis of novel aryl substituted urea derivatives of biological interest in novel method by coupling of N-(5-cyclohexenyl-2-nitrophenyl)-substituted-1-carboxamide with various secondary and primary amines by using triphosgene-TEA with DCM in simple method in excellent yields. Their structures were established by IR, 1H-NMR, C13 NMR, MS and elementary spectral data. The newly synthesized title compounds were screened for antibacterial activity and antifungal activity. Among all screened compounds the 4k, 4m, 4b & 4d showed promising antibacterial activity. The antifungal evaluation study revealed that compounds 4d and 4k maximum activity. The docking results revealed that the compound 4k, 4d showed best fit with (2H7M),(3QLS). The molecular docking study results showed good correlation along with experimental biological activity. Our results provided a new idea and several candidate compounds for antimicrobial activity enhancers against multidrug resistant pathogenic bacteria and fungi strains.

Keywords: Substituted ureas, Synthesis, Triphosgene, Antimicrobial activity, Molecular modeling.