Secondary Metabolites Generated from Saussurea lappa and Ligusticum sinensis Essential Oils by Microwave‐Assisted Hydrodistillation: in Silico Molecular Docking and in Vitro Antibacterial Efficacy

Author:

Abd El‐Razek Mohamed H.1,Saleh Ibrahim A.2,Abdel‐Halim Sally2,Bata Shaymaa M.2,Essa Ahmed F.1,Hussien Taha A.3,El‐Beih Ahmed A.4,Mohamed Tarik A.2,Hegazy Mohamed‐Elamir F.2ORCID

Affiliation:

1. Department of Natural Compounds Chemistry National Research Center, 33 El-Bohouth St. Dokki Giza 12622 Egypt

2. Chemistry of Medicinal Plants Department National Research Center 33 El Bohouth St. Dokki Giza 12622 Egypt

3. Pharmacognosy Department Faculty of Pharmacy Sphinx University New Assiut City, Assiut, 10 Egypt

4. Chemistry of Natural & Microbial Products Department National Research Center Dokki Giza 12622 Egypt

Abstract

AbstractIn the current study, both the essential oil composition and biological activity of Saussurea lappa and Ligusticum sinensis were investigated by means of microwave‐assisted hydrodistillation (MAHD) and characterized by Gas chromatography/mass spectrometry (GC/MS), whereas the antimicrobial efficiency of MAHD essential oils was examined against four pathogens: Staphylococcus aureus, Escherichia coli, Aspergillus niger, and Candida albicans responsible for microbial infections. The goal was to spot synergy and a favorable method that gives essential oils to possibly use as alternatives to common antimicrobial agents for the treatment of bacterial infections using a microdilution assay. S. lappa's 21 compounds were characterized by MAHD extraction. Sesquiterpene lactones (39.7 % MAHD) represented the major components, followed by sesquiterpene dialdehyde (25.50 % MAHD), while L. sinensis's 14 compounds were identified by MAHD extraction. Tetrahydroisobenzofurans (72.94 % MAHD) was the predominant compound class. S. lappa essential oil collection showed the strongest antimicrobial activity with MIC values of 16 μg/ml against all pathogens tested, while L. sinensis showed strong antibacterial activity and moderate antifungal activity with MIC values of 32 μg/ml and 500 μg/ml, respectively. The principal components of both oils, (velleral, eremanthin and neocnidilide), were docked into the bacterial histidine kinase (HK) and the fungal heat shock protein 90 (Hsp90).

Publisher

Wiley

Subject

Molecular Biology,Molecular Medicine,General Chemistry,Biochemistry,General Medicine,Bioengineering

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