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Publications

Journal Article Ahead of print

PubMed: 41875753 DOI: 10.1016/j.bioorg.2026.109780

Unveiling antibacterial and α-amylase inhibitory potentials of Opuntia ficus-indica aqueous extract through LC-ESI-MS/MS-guided in vitro and in silico investigation.

Bioorg Chem 175:109780

Authors: Abdelmalek Zaater, Sara Touati, Mohammed Messaoudi, Elhafnaoui Lanez, Ouafa Zouari Ahmed, Mohammed Larbi Benamor, Taher M Abdelhameed, Aicha Adaika, Yahia Bekkar, Ahmed Chaouki Douidi, Lazhar Bechki, Touhami Lanez, Salah Neghmouche Nacer, Stefania Garzoli

Affiliations

  • Biodiversity Laboratory and Application of Biotechnology in Agriculture, Department of Agronomy, Faculty of Nature and Life Sciences, University of El Oued, El Oued, Algeria.
  • Biodiversity Laboratory and Application of Biotechnology in Agriculture, Department of Agronomy, Faculty of Nature and Life Sciences, University of El Oued, El Oued, Algeria.
  • Laboratory of Biology, Environment and Health, Department of Cellular and Molecular Biology, Faculty of Nature and Life Sciences, University of El Oued, El Oued, Algeria.
  • Laboratory of Valorization and Technology of Saharian Resources (VTRS), Department of Process Engineering and Petrochemistry, Faculty of Technology, University of El Oued, El Oued 39000, Algeria.
  • Laboratory of Biology, Environment and Health, Department of Cellular and Molecular Biology, Faculty of Nature and Life Sciences, University of El Oued, El Oued, Algeria.
  • Laboratory of Valorization and Technology of Saharian Resources (VTRS), Department of Process Engineering and Petrochemistry, Faculty of Technology, University of El Oued, El Oued 39000, Algeria.
  • Department of Medical Nutrition, Faculty of Medical Technologies, University of Zawia, Zawia, Libya.
  • Laboratory of Valorization and Technology of Saharian Resources (VTRS), Department of Process Engineering and Petrochemistry, Faculty of Technology, University of El Oued, El Oued 39000, Algeria.
  • Laboratory of Valorization and Technology of Saharian Resources (VTRS), Department of Process Engineering and Petrochemistry, Faculty of Technology, University of El Oued, El Oued 39000, Algeria.
  • Laboratory of Valorization and Promotion of Saharan Resources (VPRS), Faculty of Mathematics and Material Sciences, Department of Chemistry, Kasdi Merbah University, Ouargla 30000, Algeria.
  • Laboratory of Valorization and Technology of Saharian Resources (VTRS), Department of Process Engineering and Petrochemistry, Faculty of Technology, University of El Oued, El Oued 39000, Algeria.
  • Laboratory of Valorization and Technology of Saharian Resources (VTRS), Department of Process Engineering and Petrochemistry, Faculty of Technology, University of El Oued, El Oued 39000, Algeria.
  • Department of Chemistry and Technologies of Drug, Sapienza University, P. le Aldo Moro, 5, 00185 Rome, Italy.

Abstract

This study evaluated the bioactive potential of the aqueous extract of Opuntia ficus-indica (L.) Mill. aerial parts using combined phytochemical, biological, and computational approaches. The extraction yield was 10.82 ± 0.31%, with high total phenolic (94.36 ± 0.58 μg GAE/mg extract) and flavonoid contents (38.12 ± 0.47 μg QE/mg extract). LC-ESI-MS/MS analysis identified seventeen phenolic compounds, mainly phenolic acids and flavonoids, including ferulic acid, salicylic acid, quercetin, and catechin. The extract showed moderate antibacterial activity, with greater efficacy against Gram-positive bacteria. The lowest minimum inhibitory concentration was recorded for Staphylococcus aureus (MIC = 6.25 mg/mL). In addition, the extract exhibited dose-dependent inhibition of pancreatic α-amylase, with an IC₅₀ of 261.47 ± 1.18 μg/mL. Molecular docking revealed favourable binding affinities of major flavonoids toward antibacterial enzymes and human pancreatic α-amylase, with binding energies reaching -7.4 kcal·mol -1. Molecular dynamics simulations over 300 ns confirmed the stability of selected protein-ligand complexes. Overall, the results indicate that O. ficus-indica aqueous extract is a phenolic-rich matrix with biologically relevant antibacterial and α-amylase inhibitory properties, supporting its potential use in nutraceutical and complementary applications.

MeSH

Biochemistry, Amylases, Catechin, Salicylic Acid, Flavonoids, Bacteria