Phytochemical characterization, antimicrobial properties and in silico modeling perspectives of Anacyclus pyrethrum essential oil.

Autor:	Baz AE; Laboratory of Plant Biotechnology, Ecology and Ecosystem Valorization, URL-CNRST n° 10, Faculty of Sciences, Chouaib Doukkali University, P.O. Box 20, El Jadida, 24000, Morocco.; High Institute of Nursing Professions and Health Techniques, Casablanca, Morocco., Mrabti HN; High Institute of Nursing Professions and Health Techniques, Casablanca, Morocco.; Euromed Research Center, Euromed Polytechnic School, Euromed University of Fes, UEMF, 30030 Fes, Morocco., Ashmawy NS; Department of Pharmaceutical Sciences, College of Pharmacy, Gulf Medical University, Ajman, P.O. Box 4184, United Arab Emirates.; Department of Pharmacognosy, Faculty of Pharmacy, Ain Shams University, Abbassia, 11566, Cairo, Egypt., Khan SA; Tunneling Group, Biotechnology Centre, Silesian University of Technology, 44-100, Gliwice, Poland.; Joint Doctoral School, Silesian University of Technology, Akademicka 2A, Gliwice, Poland., Abdallah EM; Department of Biology, College of Science, Qassim University, Qassim, 51452, Saudi Arabia., Al-Mijalli SH; Department of Biology, College of Sciences, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia., Alenazy R; Department of Medical Laboratory, College of Applied Medical Sciences-Shaqra, Shaqra University, Shaqra, 11961, Saudi Arabia., Alshabrmi FM; Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, 51452, Saudi Arabia., Bouyahya A; Laboratory of Human Pathologies Biology, Department of Biology, Faculty of Sciences, Mohammed V University in Rabat, 10106, Morocco., El Hachlafi N; Faculty of Sciences and Technologies, Sidi Mohamed Ben Abdellah University, P.O. Box 2202, Imouzzer Road, Fez, Morocco., Ardianto C; Department of Pharmacy Practice, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia., Ifadotunnikmah F; Department of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya, Indonesia., Hmimid F; Laboratory of Plant Biotechnology, Ecology and Ecosystem Valorization, URL-CNRST n° 10, Faculty of Sciences, Chouaib Doukkali University, P.O. Box 20, El Jadida, 24000, Morocco.; Health and Environment Laboratory, Aïn Chock Faculty of Sciences, Hassan II University of Casablanca (UH2C), Casablanca, 20100, Morocco.
Jazyk:	angličtina
Zdroj:	Heliyon [Heliyon] 2024 Jul 23; Vol. 10 (16), pp. e35079. Date of Electronic Publication: 2024 Jul 23 (Print Publication: 2024).
DOI:	10.1016/j.heliyon.2024.e35079
Abstrakt:	Medicinal plants are used widely in the treatment of various infectious diseases. One of these medical plants is Moroccan plants such as Anacyclus pyrethrum . In this study, the essential oil isolated from the leaves of Anacyclus pyrethrum (APEO) by the hydrodistillation method was analyzed using (GC/MS) analysis. A total of forty-four compounds were identified form the oil and the oxygenated monoterpenes were the most abundant class of compounds. The major identified compound is santolina alcohol (40.7 %), followed by germacrene-D (8.9 %). The in-vitro assessment of the antimicrobial efficacy of APEO encompassed an investigation involving six microbial strains, including two Gram-positive bacteria, four Gram-negative bacteria, and three fungal strains. The findings revealed noteworthy antibacterial and antifungal properties against all examined microorganisms, with inhibitory zone diameters ranging from 25.67 ± 0.06 mm to 25.19 ± 0.03 mm for Gram-positive bacteria and from 22.34 ± 0.01 mm to 14.43 ± 0.02 mm for Gram-negative bacteria, as determined through the disc-diffusion assay. In the case of antifungal activity, inhibitory zones ranged from 24.57 ± 0.04 mm to 18.37 ± 0.06 mm. Further evaluation revealed that the MIC values of Gram-positive bacteria were at the concentration 0.25 % v/v, while MBC values ranged from 0.25 % to 1.0 % v/v. The Gram-negative bacteria exhibited MIC values spanning from 0.5 % to 2.0 % v/v, with MBC values in the range of 0.5 %-2.0 % v/v. For the fungal strains, MIC values ranged from 0.5 % to 1.0 % v/v, while the MFC consistently remained at 1.0 % for all tested fungal strains. The assessment of the MBC/MIC and MFC/MIC ratios collectively indicates that A. pyrethrum EO possesses bactericidal and fungicidal attributes. The in silico study of bioavailability predictions for compounds in APEO based on six physicochemical properties show optimal physiochemical properties including size, lipophilicity, solubility, flexibility, and saturation. α-Pinene, limonene, germacrene D, and (E)-β-farnesene are non-polar due to their lack of polar groups, and the ADME profile indicates desirable properties for considering these compounds in drug development. Molecular docking investigation indicates that all the compounds of APEO reside well into the binding site of the DNA gyrase B enzyme of Staphylococcus aureus by mediating a number of significant interactions with the binding site residues. The ADME analysis suggested that the major compounds APEO possess desirable properties for further consideration in drug development. In light of these findings, APEO could serve as a natural source for the elaboration of new and active antimicrobial drugs. Competing Interests: The authors declare the following financial interests/personal relationships which may be considered as potential competing interests:Samiah Hamad Al-Mijalli reports was provided by Princess Nourah bint Abdulrahman University. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. (© 2024 Published by Elsevier Ltd.)
Databáze:	MEDLINE
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