Browsing by Author "Bakr, R.O"

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    Antimicrobial activity of Vitex agnus-castus Essential Oil and Molecular Docking Study of Its Major Constituents
    (2/26/2020) Bakr, R.O; Zaghloul, S.S; Hassan, R A; Sonousi, A; Wasfi, R; Fayed, M A A
    Antimicrobial resistance represents a public health problem worldwide that is associated with high morbidity and mortality which rose up the need for natural products as being an effective alternative. This study aims to evaluate the antimicrobial activity of the Vitex agnus-cactus L. essential oil (EO) towards bacterial and fungal strains of economic importance, besides, correlating its chemical constituents to the observed antimicrobial and antifungal activity using molecular docking. The chemical composition of essential oil was analyzed by gas chromatography-mass spectroscopy (GC-MS), where oxygenated monoterpenes (44.98 %) and monoterpenes (32.2 %) represented the major classes. Molecular docking study was carried out for the major identified essential oil constituents against bacterial protein targets, where, sabinene, 1,8 cineole, and linalool (the major oil constituents) acted on multi targets and reflected the effective antibacterial activity. Additionally, caryophyllene and verticiol showed a high binding affinity to Candida’s Farnesyl pyrophosphate synthase, a critical enzyme responsible for cell membrane integrity. V. agnus-cactus L. oil demonstrated itself as a powerful anticandidal agent providing a possible candidate in the pharmaceutical formulations. © 2020, © 2020 Har Krishan Bhalla & Sons. SciVal Topic Prominence
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    The metabolomic analysis of fiveMenthaspecies: cytotoxicity, anti-Helicobacterassessment, and the development of polymeric micelles for enhancing the anti-Helicobacteractivity
    (Royal Society of Chemistry, 02/12/2021) Bakr, R.O; Tawfike, A; El-Gizawy, H.A; Tawfik, N; Abdelmohsen, U.R; Abdelwahab, M.F; Alshareef, W.A; Fayez, S.M; El-Mancy, S.M.S; El-Fishawy, A.M; Abdelkawy, M.A; Fayed, M.A.A
    Menthaspecies are medicinally used worldwide and remain attractive for research due to the diversity of their phytoconstituents and large therapeutic indices for various ailments. This study used the metabolomics examination of fiveMenthaspecies (M. suaveolens,M. sylvestris,M. piperita,M. longifolia, andM. viridis) to justify their cytotoxicity and their anti-Helicobactereffects. The activities of species were correlated with their phytochemical profiles by orthogonal partial least square discriminant analysis (OPLS-DA). Tentatively characterized phytoconstituents using liquid chromatography high-resolution electrospray ionization mass spectrometry (LC-HR-ESI-MS) included 49 compounds: 14 flavonoids, 10 caffeic acid esters, 7 phenolic acids, and other constituents.M. piperitashowed the highest cytotoxicity to HepG2 (human hepatoma), MCF-7 (human breast adenocarcinoma), and CACO2 (human colon adenocarcinoma) cells using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assays. OPLS-DA and dereplication studies predicted that the cytotoxic activity was related to benzyl glucopyranoside-sulfate, a lignin glycoside. Furthermore,M. viridiswas effective in suppressing the growth ofHelicobacter pyloriat a concentration of 50 mg mL−1. OPLS-DA predicted that this activity was related to a dihydroxytrimethoxyflavone.M. viridisextract was formulated with Pluronic® F127 to develop polymeric micelles as a nanocarrier that enhanced the anti-Helicobacteractivity of the extract and provided minimum inhibitory concentrations and minimum bactericidal concentrations of 6.5 and 50 mg mL−1, respectively. This activity was also correlated to tentatively identified constituents, including rosmarinic acid, catechins, carvone, and piperitone oxide. © The Royal Society of Chemistry 2021