In vitro and in silico evaluation of Capparis spinosa L. essential oil
DOI:
https://doi.org/10.25081/jp.2026.v18.9844Keywords:
Biological activities, Capparis spinosa, Essential oil, Molecular dockingAbstract
This study explores the antibacterial and antioxidant properties of Capparis spinosa essential oils from seven Algerian populations, using in vitro and molecular modeling approaches, specifically targeting bacterial biofilm formation. EOs demonstrated highly variable antimicrobial activity, with the greatest sensitivity observed in Staphylococcus aureus (inhibition zone up to 44.3 mm) and Bacillus cereus (up to 37.3 mm). The antioxidant activity was significant (IC50 0.85 mg/mL) and confirmed by HPTLC. In silico molecular docking targeted bacterial biofilm, revealing a high binding affinity of -6.9 kcal/mol for the α-Duprezianene. Furthermore, Molecular modeling studies, including SwissADME and OSIRIS Property Explorer, predicted favorable pharmacokinetic (ADME) profiles and low toxicity risks for the active compounds. These results support the traditional use of C. spinosa and its potential as a source for novel, safe, and effective anti-biofilm agents.
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Copyright (c) 2026 Ounoughi Abdelkader, Benachour Halima, Elkolli Meriem, Ramdani Messaoud, Lograda Takia, Gilles Figuiredo
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