Glucosinolates, Glycosidically Bound Volatiles and Antimicrobial Activity of Brassica oleraceae Var. Botrytis, (Soultany Cultivar)

Background: Egyptian cauliflower Brassica oleracea, L. var. Botrytis L. Soultany cultivar, is an important edible plant in Mediterranean countries. Only a few researches were focused on antimicrobial activity of its volatiles and glucosinolates. Objective: To evaluate the antimicrobial activity of volatiles and glucosinolates of Egyptian Cauliflower and identify them by GC/MS and HPLC/MS designs. Materials and Methods: The semi-volatile and volatile constituents of were extracted by hydrodistillation from leaves, stems and inflorescences, using a Likens –Nickerson-type apparatus. The extracts from fresh and frozen vegetables were investigated by GC/MS and HPLC/MS. the volatile samples containing glucosinolate degradation products were evaluated for antimicrobial activity using the disc diffusion method. Results: From the fresh leaves extract, a total of 49 compounds were identified, representing 98.79% of the oil. The major constituent was found to be hex-3(Z)-enol (18.86%). From fresh disrupted inflorescence tissues of Egyptian cauliflower 45 compounds were detected, representing 93.37% of the extract. Nonacosane and 11-methoxy   benz(a)anthracene-7,12-dione   were   identified  as  major constituents   of   the hydrodistillation products, representing, respectively, 17.7 and 8.31% of the volatiles.   From frozen inflorescence tissues, dimethyl trisulfide and butylated hydroxy toluene were detected as predominant components representing 15.88 and 9.69% respectively. In the latter, hex-3(Z)-enol was not found to be the major constituent as happened in fresh leaves, but representing 3.88%. From fresh stem tissues, dimethyl trisulphide was detected as major constituent representing a percentage (24.06%) more than present in frozen inflorescence tissues. Twenty two compounds were identified by triple quad HPLC/MS. Volatile samples expressed a wide range of growth inhibition activity against both Gram-positive and Gram-negative bacteria and fungi, showing the highest inhibitory effects against E .coli and K. pneumonia strains. Conclusion: Hydrodistilled compounds present in the stems, leaves and inflorescence tissues of this cultivar has a highly promising antimicrobial activity. Keywords: Cauliflower, Brassica oleraceae, Glucosinolates, GC/MS, HPLC/MS, Antimicrobial activity.

Green synthesized extracts/Au complex of <i>Phyllospongia lamellosa</i>:unrevealing the anti-cancer and anti-bacterial potentialities, supported by metabolomics and molecular modeling

The anti-cancer and anti-bacterial potential of the Red Sea sponge Phyllospongia lamellosa in its bulk (crude extracts) and gold nanostructure (loaded on gold nanaoparticles) were investigated. Metabolomics analysis was conducted, and subsequently, molecular modeling studies were conducted to explore and anticipate the P. lamellosa secondary metabolites and their potential target for their various bioactivities. The chloroformic extract (CE) and ethyl acetate extract (EE) of the P. lamellosa predicted to include bioactive lipophilic and moderately polar metabolites, respectively, were used to synthesize gold nanoparticles (AuNPs). The prepared AuNPs were characterized through transmission electron microscopy (TEM), Fourier-transform infrared spectroscopy (FTIR), and UV–vis spectrophotometric analyses. The cytotoxic activities were tested against MCF-7, MDB-231, and MCF-10A. Moreover, the anti-bacterial, antifungal, and anti-biofilm activity were assessed. Definite classes of metabolites were identified in CE (terpenoids) and EE (brominated phenyl ethers and sulfated fatty amides). Molecular modeling involving docking and molecular dynamics identified Protein-tyrosine phosphatase 1B (PTP1B) as a potential target for the anti-cancer activities of terpenoids. Moreover, CE exhibited the most powerful activity against breast cancer cell lines, matching our molecular modeling study. On the other hand, only EE was demonstrated to possess powerful anti-bacterial and anti-biofilm activity against Escherichia coli. In conclusion, depending on their bioactive metabolites, P. lamellosa-derived extracts, after being loaded on AuNPs, could be considered anti-cancer, anti-bacterial, and anti-biofilm bioactive products. Future work should be completed to produce drug leads

Screening and Molecular Docking of Bioactive Metabolites of the Red Sea Sponge <i>Callyspongia siphonella</i> as Potential Antimicrobial Agents

Marine sponges create a wide range of bioactive secondary metabolites, as documented throughout the year. Several bioactive secondary metabolites were isolated from different members of Callyspongia siphonella species. This study aimed for isolation and structural elucidation of major metabolites in order to investigate their diverse bioactivities such as antimicrobial and anti-biofilm activities. Afterwards, a molecular docking study was conducted, searching for the possible mechanistic pathway of the most bioactive metabolites. Extraction, fractionation, and metabolomics analysis of different fractions was performed in order to obtain complete chemical profile. Moreover, in vitro assessment of different bioactivities was performed, using recent techniques. Additionally, purification, structural elucidation of high features using recent chromatographic and spectroscopic techniques was established. Finally, AutoDock Vina software was used for the Pharmacophore-based docking-based analysis. As a result, DCM (dichloromethane) fraction exerted the best antibacterial activity using disc diffusion method; particularly against S. aureus with an inhibition zone of 6.6 mm. Compound 11 displayed a considerable activity against both MRSA (Methicillin-resistant Staphyllococcus aureus) and Staphyllococcus aureus with inhibition ratios of 50.37 and 60.90%, respectively. Concerning anti-biofilm activity, compounds 1 and 2 displayed powerful activity with inhibition ratios ranging from 39.37% to 70.98%. Pharmacophore-based docking-based analysis suggested elongation factor G (EF-G) to be a probable target for compound 11 (siphonellinol C) that showed the best in vitro antibacterial activity, offering unexplored potential for new drugs and treatment candidates

LC/MS Profiling and Gold Nanoparticle Formulation of Major Metabolites from Origanum majorana as Antibacterial and Antioxidant Potentialities

Origanum majoranum L. is a Lamiaceae medicinal plant with culinary and ethnomedical applications. Its biological and phytochemical profiles have been extensively researched. Accordingly, this study aimed to investigate the chemical composition and the antibacterial and antioxidant properties of O. majoranum high features, as well as to search for techniques for activity optimization. A metabolomics study of the crude extract of O. majoranum using liquid chromatography-high-resolution electrospray ionization mass spectrometry (LC &plusmn; HR &plusmn; ESI &plusmn; MS) was conducted. Five fractions (petroleum ether, dichloromethane, ethyl acetate, n-butanol, and aqueous) were derived from the total extract of the aerial parts. Different chromatographic methods and NMR analysis were utilized to purify and identify the isolated phenolics (high features). Moreover, the antimicrobial, antibiofilm, and antioxidant activity of phenolics were performed. Results showed that metabolomic profiling of the crude extract of O. majoranum aerial parts revealed the presence of a variety of phytochemicals, predominantly phenolics, resulting in the isolation and identification of seven high-feature compounds comprising two phenolic acids, rosmarinic and caffeic acids, one phenolic diterpene, 7-methoxyepirosmanol, in addition to four flavonoids, quercetin, hesperitin, hesperidin, and luteolin. On the other hand, 7-methoxyepirosmanol (OM1) displayed the most antimicrobial and antioxidant potential. Such a phenolic principal activity improvement seems to be established after loading on gold nanoparticles