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.
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