Comparative Study on the Essential Oils from Five Wild Egyptian <i>Centaurea</i> Species: Effective Extraction Techniques, Antimicrobial Activity and In-Silico Analyses
Eman H. Reda,
Zienab T. Abdel Shakour,
Ali M. El-Halawany,
El-Sayeda A. El-Kashoury,
Khaled A. Shams,
Tarik A. Mohamed,
Ibrahim Saleh,
Abdelsamed I. Elshamy,
Mohamed A. M. Atia,
Ahmed A. El-Beih,
Nahla S. Abdel-Azim,
Hesham R. El-Seedi,
Mohamed-Elamir F. Hegazy
Affiliations
Eman H. Reda
Phytochemistry Laboratory, National Organization for Drug Control and Research, Giza 12622, Egypt
Zienab T. Abdel Shakour
Phytochemistry Laboratory, National Organization for Drug Control and Research, Giza 12622, Egypt
Ali M. El-Halawany
Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 11562, Egypt
El-Sayeda A. El-Kashoury
Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 11562, Egypt
Khaled A. Shams
Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt
Tarik A. Mohamed
Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt
Ibrahim Saleh
Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt
Abdelsamed I. Elshamy
Department of Natural Compounds Chemistry, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt
Mohamed A. M. Atia
Molecular Genetics and Genome Mapping Laboratory, Genome Mapping Department, Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center (ARC), Giza 12619, Egypt
Ahmed A. El-Beih
Chemistry of Natural & Microbial Products Department, National Research Centre, Dokki, Giza 12622, Egypt
Nahla S. Abdel-Azim
Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt
Hesham R. El-Seedi
Department of Molecular Biosciences, The Wenner-Gren Institute, Stockholm University, S-10691 Stockholm, Sweden
Mohamed-Elamir F. Hegazy
Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt
The genus Centaurea is recognized in folk medicine for anti-inflammatory, anti-itch, antitussive, purgative, astringent, and tonic activities. To study the chemical determinant for antimicrobial activity essential oils (EOs), five Centaurea species were analyzed including: C. scoparia, C. calcitrapa, C. glomerata, C. lipii and C. alexandrina. Conventional hydro-distillation (HD) and microwave-assisted extraction (MAE), as new green technologies, were compared for the extraction of essential oils. GC/MS analysis identified 120 EOs including mostly terpenoid except from C. lipii and C. alexandrina in which nonterpenoids were the major constituents. Major terpenoids included spathulenol, caryophyllene oxide and alloaromadendrene oxide-2. To probe antibacterial activity, potential EO inhibitors of a bacterial type II DNA topoisomerase, DNA gyrase B were screened via an in silico molecular docking approach. Spathulenol and alloaromadendrene oxide-2 possessed the best binding affinity in the ATP- binding pocket of Gyrase B enzyme. Principal component analysis and agglomerative hierarchical clustering were used for sample classification and revealed that sesquiterpenes contributed the most for accessions classification. In vitro antimicrobial activity against Staphylococcus aureus, Escherichia coli and Aspergillus niger for all EOs were also evaluated. EOs from C. lipii, C. glomerata and C. calcitrapa exhibited significant MIC against S. aureus with an MIC value of 31.25 µg/mL.
