Maturity-dependent enzyme inhibition in grape seeds: Urease, α-amylase, and lipase inhibitory activities with lipase docking insights and antimicrobial properties
COMPUTATIONAL BIOLOGY AND CHEMISTRY, vol.120, 2026 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 120
- Publication Date: 2026
- Doi Number: 10.1016/j.compbiolchem.2025.108761
- Journal Name: COMPUTATIONAL BIOLOGY AND CHEMISTRY
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, Chimica, Compendex, MEDLINE, zbMATH
- Ondokuz Mayıs University Affiliated: Yes
Abstract
This study investigated the enzyme inhibitory, antimicrobial, and molecular docking properties of grape seed extracts obtained from three Algerian grape cultivars-Sabel, Red Globe, and Cardinal-harvested at different ripening stages. The extracts demonstrated strong inhibitory activity against urease, alpha-amylase, and lipase, with variability depending on both cultivar and maturation stage. Cardinal seeds displayed the most potent urease inhibition ((IC50 = 3.37 mu g/mL) at the BV stage, surpassing the reference thiourea (7.27 +/- 1.04 mu g/mL), whereas alpha-amylase inhibition was consistently higher than the commercial inhibitor acarbose with the best activity recorded in RG at repining stage (IC50 = 31.94 mu g/mL). Lipase inhibition was markedly enhanced at the late ripening stage for Sabel and Cardinal, highlighting maturation as a critical determinant of bioactivity. Docking simulations revealed that catechin, luteolin, and resveratrol established stable interactions with catalytic residues of pancreatic lipase, supporting the in vitro findings. ADME/Tox predictions confirmed favorable pharmacokinetic properties and low toxicity for most compounds. Antimicrobial assays further demonstrated cultivardependent activity against multidrug-resistant Escherichia coli, Candida albicans, and Aspergillus niger, with Cardinal and Red Globe showing the strongest effects with the highest inhibition zones up to 19 mm against multidrug-resistant E. coli. Together, these results highlight grape seeds as a significant reservoir of bioactive substances with possible uses in managing metabolic disorders, infections, and obesity.