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

Abstract In 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.