Benzimidazole-acrylonitrile hybrid derivatives act as potent urease inhibitors with possible fungicidal activity.

ABSTRACT: Aim: A series of benzimidazole-acrylonitrile derivatives TM1-TM53 were designed with urease inhibition approach.Materials & methods: TM1-TM53 were synthesized and characterized (¹H Nuclear Magnetic Resonance (NMR), ¹³C NMR, Mass Spectroscopy (MS) and IR) and subjected to urease inhibition assay using commercial assay kit. A molecular docking study was also performed using Autodock tool software.Results: Except six compounds, target molecules exhibited a higher urease inhibition effect (IC₅₀: 1.22-28.45 μM) than hydroxyurea (IC₅₀: 100 μM). kinetic study on TM11, clarified its mode of action as a mixed inhibitor. A molecular docking study on TM6, TM11 and TM21, was performed and the res

SUBMITTER: Moghadam ES 

PROVIDER: S-EPMC11559371 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature