Academic Journal
Maturity-dependent enzyme inhibition in grape seeds: Urease, α-amylase, and lipase inhibitory activities with lipase docking insights and antimicrobial properties.
| Title: | Maturity-dependent enzyme inhibition in grape seeds: Urease, α-amylase, and lipase inhibitory activities with lipase docking insights and antimicrobial properties. |
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| Authors: | Kamah F; Research Laboratory of Interaction, Biodiversity, Ecosystems and Biotechnology, Department of Nature and Life Sciences, Faculty of Science, University of 20 August 1955 Skikda, Skikda 21000, Algeria. Electronic address: f.kamah@univ-skikda.dz., Aouzal B; Research Laboratory of Interaction, Biodiversity, Ecosystems and Biotechnology, Department of Nature and Life Sciences, Faculty of Science, University of 20 August 1955 Skikda, Skikda 21000, Algeria. Electronic address: b.aouzal@univ-skikda.dz., Boucherit H; Laboratory of Applied Biochemistry, Department of Biochemistry and Cellular and Molecular Biology,Faculty of Natural and Life Sciences, Mentouri Brothers University, Constantine 1, Algeria. Electronic address: h.boucherit@centre-univ-mila.dz., Kadjoudj N; Laboratory of Natural Sciences and Materials, Department of Biological and Agricultural Sciences, Institut of Natural and Life Sciences,Abdelhafid Boussouf University Centre, Mila, Algeria. Electronic address: kadj.nadia@centre-univ-mila.dz., Chouiter N; Laboratory of Functional Ecology and Environment, Department of Nature and Life Sciences, Faculty of Exact Sciences, Nature and Life Sciences, University of Larbi Ben Mhidi, Oum El Bouaghi. 1st November 1954 Street, Oum El Bouaghi 04000, Algeria. Electronic address: chouiter.norhane@univ-oeb.dz., Bougouizi A; Research Laboratory of Interaction, Biodiversity, Ecosystems and Biotechnology, Department of Nature and Life Sciences, Faculty of Science, University of 20 August 1955 Skikda, Skikda 21000, Algeria. Electronic address: a.bougouizi@univ-skikda.dz., Bouzana A; Research Laboratory of Interaction, Biodiversity, Ecosystems and Biotechnology, Department of Nature and Life Sciences, Faculty of Science, University of 20 August 1955 Skikda, Skikda 21000, Algeria. Electronic address: a.bouzana@univ-skikda.dz., Özen T; Department of Chemistry, Faculty of Science, Ondokuz Mayis University, Samsun, Turkiye. Electronic address: tevfikoz@omu.edu.tr., Bounamous A; Laboratory of Natural Sciences and Materials, Department of Biological and Agricultural Sciences, Institut of Natural and Life Sciences,Abdelhafid Boussouf University Centre, Mila, Algeria. Electronic address: a.bounamous@centre-univ-mila.dz., Rudayni HA; Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11623, Saudi Arabia. Electronic address: harudayni@imamu.edu.sa., Boufahja F; Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11623, Saudi Arabia. Electronic address: faboufahja@imamu.edu.sa., Elfalleh W; Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11623, Saudi Arabia. Electronic address: wbelfallah@imamu.edu.sa., Bendif H; Department of Biology, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11623, Saudi Arabia. Electronic address: hlbendif@imamu.edu.sa., Garzoli S; Department of Chemistry and Technologies of Drug, Sapienza University,P. le Aldo Moro, 5, Rome 00185, Italy. Electronic address: stefania.garzoli@uniroma1.it. |
| Source: | Computational biology and chemistry [Comput Biol Chem] 2026 Feb; Vol. 120 (Pt 1), pp. 108761. Date of Electronic Publication: 2025 Nov 16. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Language: | English |
| Journal Info: | Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X (Electronic) Linking ISSN: 14769271 NLM ISO Abbreviation: Comput Biol Chem Subsets: MEDLINE |
| Imprint Name(s): | Publication: Oxford : Elsevier Original Publication: Oxford : Pergamon, c2003- |
| MeSH Terms: | Lipase*/antagonists & inhibitors , Lipase*/metabolism , alpha-Amylases*/antagonists & inhibitors , alpha-Amylases*/metabolism , Urease*/antagonists & inhibitors , Urease*/metabolism , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/isolation & purification , Seeds*/chemistry , Vitis*/chemistry , Anti-Infective Agents*/pharmacology , Anti-Infective Agents*/chemistry , Anti-Infective Agents*/isolation & purification , Molecular Docking Simulation*, Escherichia coli/drug effects ; Candida albicans/drug effects ; Aspergillus niger/drug effects ; Microbial Sensitivity Tests ; Structure-Activity Relationship |
| 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, α-amylase, and lipase, with variability depending on both cultivar and maturation stage. Cardinal seeds displayed the most potent urease inhibition ((IC₅₀ = 3.37 µg/mL) at the BV stage, surpassing the reference thiourea (7.27 ± 1.04 µg/mL), whereas α-amylase inhibition was consistently higher than the commercial inhibitor acarbose with the best activity recorded in RG at repining stage (IC₅₀ = 31.94 µg/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 cultivar-dependent 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. (Copyright © 2025 The Authors. Published by Elsevier Ltd.. All rights reserved.) |
| Competing Interests: | Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. |
| Contributed Indexing: | Keywords: Antimicrobial assays; Docking simulations; Enzyme inhibitory; Grape seeds |
| Substance Nomenclature: | EC 3.1.1.3 (Lipase) EC 3.2.1.1 (alpha-Amylases) EC 3.5.1.5 (Urease) 0 (Enzyme Inhibitors) 0 (Anti-Infective Agents) |
| Entry Date(s): | Date Created: 20251122 Date Completed: 20251210 Latest Revision: 20260610 |
| Update Code: | 20260610 |
| DOI: | 10.1016/j.compbiolchem.2025.108761 |
| PMID: | 41274184 |
| Database: | MEDLINE |
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