Antiurease screening of alkyl chain-linked thiourea derivatives: in vitro biological activities, molecular docking, and dynamic simulations studies.

ABSTRACT: Urease has become an important therapeutic target because it stimulates the pathogenesis of many human health conditions, such as pyelonephritis, the development of urolithiasis, hepatic encephalopathy, peptic ulcers, gastritis and gastric cancer. A series of alkyl chain-linked thiourea derivatives were synthesized to screen for urease inhibition activity. Structure elucidation of these compounds was done by spectral studies, such as IR, ¹H NMR and ¹³C NMR, and MS analysis. In vitro urease enzyme inhibition assay revealed that compound 3c was the most potent thiourea derivative among the series with IC₅₀ values of 10.65 ± 0.45 μM, while compound 3g also exhibited good activity with an IC₅₀ value of 15.19 ± 0.58 μM compared to standard thio

SUBMITTER: Yaqoob S 

PROVIDER: S-EPMC8981555 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature