Effectiveness of Oil-based Nanoemulsions with Molecular Docking of its Antimicrobial Potential

Authors

  • Husam Qanash Department of Medical Laboratory Science, College of Applied Medical Sciences, Molecular Diagnostics and Personalized Therapeutics Unit, University of Ha’il
  • Khulud Alotaibi Biology Department, Faculty of Science, Jazan University
  • Abdu Aldarhami Department of Medical Microbiology, Qunfudah Faculty of Medicine, Umm Al-Qura University
  • Abdulrahman S. Bazaid Department of Medical Laboratory Science, College of Applied Medical Sciences, University of Ha’il
  • Magdah Ganash Biology Department, Faculty of Science, King Abdulaziz University
  • Nizar H. Saeedi Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk
  • Tarek M. Abdel Ghany Botany and Microbiology Department, Faculty of Science, Al-Azhar University

Keywords:

Antimicrobial, Antioxidant, Anti-hemolytic, Nanoemulsions, Salad rocket, Coconut

Abstract

The biological properties of plant oils are improved by their conversion to nanoemulsions (NEs). This study evaluated the antimicrobial, antioxidant, and anti-hemolytic efficacy of coconut and salad rocket oils and their NEs. The result of the gas chromatography-mass spectroscopy analysis of the oils showed varied constituents such as palmitic acid, trimethylsilyl ester; 2,3-bis(acetyloxy)propyl laurate in salad rocket oil, 2-lauro-1,3-didecoin, n-butyl laurate; laurin, tri-; laurin in coconut oil. NEs diameter of salad rocket and coconut oils was 24.6 and 29.2 nm, respectively. More inhibitory activity of NEs compared with non-NEs form against Bacillus cereus, Staphylococcus aureus, Escherichia coli, Salmonella typhi, Candida albicans, and Aspergillus flavus was detected. Coconut oil and its NEs caused 14.3% (anti-hemolysis 85.7%) and 22% hemolysis (anti-hemolysis 78%), respectively. Salad rocket oil and its NEs caused hemolysis 3.4% and 20.9%, respectively at 1000 µg/mL. Antioxidant activity of salad rocket and coconut oil reflected more IC50 (39.3 and 109.4 µg/mL) than its NEs (35.8 and 80.5 µg/mL), respectively. Molecular docking of trimethylsilyl ester and 2-lauro-1,3-didecoin against S. aureus (PDB=7BGE) and C. albicans protein (PDB=3DRA) revealed optimal binding mode that had the most energy interaction with the binding sites.

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Published

2023-01-11

Issue

Vol. 18 No. 1 (2023)

Section

Research Article or Brief Communication