Biochemical and Computational Insights into the Therapeutic Potencies of Quinoline Appended Imidazole Compounds

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(14)

Published: April 1, 2025

Abstract Diabetes is a complex metabolic disorder characterized by oxidative stress and chronic inflammation, necessitating the development of multifunctional therapeutic agents. This study evaluates in vitro silico antihyperglycemic, antioxidant, anti‐inflammatory activities four 3‐(4,5‐diaryl‐1 H ‐imidazol‐2‐yl)quinoline‐2‐amine derivatives (a–d) . Among them, compound (a) exhibited strong antihyperglycemic activity, with significant α‐amylase inhibition (IC 50 = 132.55 ± 4.12 µg/mL) enhanced glucose uptake yeast cells 126.32 3.48 µg/mL). Compound (d) showed superior antioxidant 42–44 properties. Molecular docking against PPAR‐γ confirmed binding interactions for all compounds, showing collectively better affinity (−10 kcal/mol −11.1 kcal/mol). Further, molecular dynamics normal mode analysis validated its stability functional potential. The ADMET predictions suggested favorable pharmacokinetics, especially compounds (b) findings suggest that has potential as lead molecule treatment moderate also shows promise, albeit slightly lower bioactivity. Despite these promising findings, none tested outperformed efficacy standard drugs any assays, indicating need further structural optimization to enhance their

Language: Английский

In-vitro and in-silico pharmacological profiling of 3-(4,5-diaryl-1H-imidazol-2-yl)quinoline-2-amine hybrids

Published: April 1, 2025