Bioactive Profiling, Antibacterial Efficacy and Computational Modelling of Myrtus Communis Essential Oil (Morocco)

Author:

Hayani Mouhcine1,Benabbouha Tariq2ORCID,Naceiri Mrabti Nidal3,Eljebri Said4,Sabiri Maryame5,Zair Touriya1

Affiliation:

1. Research team of Chemistry of Bioactive Molecules and the Environment Faculty of Science Moulay Ismail University BP 50000 Meknes Morocco

2. Team of Thermodynamics Surfaces and Catalysis Laboratory of Chemistry of Coordination and Analytics LCCA Faculty of Sciences Chouaib Doukkali University BP 24000 El Jadida Morocco

3. Engineering Materials Modeling and Environmental Laboratory Faculty of Science University Sidi Mohammed Ben Abdellah Dhar Mehraz, Atlas BP 1796 Fes Morocco

4. Team of Ecology and Valorization of Natural Substances Department of Biology Faculty of Sciences Chouaib Doukkali University BP 24000 El Jadida Morocco

5. Molecular Chemistry and Natural Substances Laboratory Moulay Ismail University Faculty of Sciences Zitoune BP 11201 Meknes Morocco

Abstract

AbstractIn the context of investigations into molecules of natural origin with biological activities. This study focuses on the development of Myrtus communis L., a medicinal plant found in the mountains of Morocco. The first, an analysis carried out on leaves using the inductively coupled plasma spectrometry technique, showed the almost total absence of heavy metals. Furthermore, we aim to identify the chemical composition of its essential oils by gas chromatography‐mass spectrometry (GC/MS) analysis and assess its antibacterial efficacy in vitro and in silico. The average yield of essential oils was 0.9 %±0.06, and GC/MS analysis identified 35 constituents, with myrcene (27,38 %), limonene (16,51 %), α‐pinene (7,32 %) being the major compounds. Remarkably, the essential oils displayed considerable antibacterial activity against various tested bacteria, including Escherichia coli (0.7 μL/mL), Escherichia pseudocoloides (2.8 μl/ml), Escherichia vekanda (2.8 μl/ml). Molecular docking has contributed to our understanding of the mechanism of antibacterial action of the main compounds in this essential oil.

Publisher

Wiley

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