title: Cytotoxic activity and molecular docking of a novel biflavonoid isolated from Jacaranda acutifolia (Bignoniaceae).
abstract: A novel biflavonoid [kaempferol (6→8″) apigenin] was isolated from the leaves of Jacaranda acutifolia. The structure was elucidated based on chemical evidence, 1D and 2D spectroscopic analyses as well as spectrometric techniques. The compound showed promising cytotoxic activity against breast cancer cell line MCF-7. The anticancer activity was explained via virtual docking of the isolated compound to the main sites in the human cyclin-dependent kinase2 (CDK2) crystal structure.
authors.affiliation: a Faculty of Pharmacy, Department of Pharmacognosy , Ain Shams University , Cairo , Egypt.
authors.forename: Nada M
authors.initials: NM
authors.lastname: Mostafa
authors.affiliation: a Faculty of Pharmacy, Department of Pharmacognosy , Ain Shams University , Cairo , Egypt.
authors.forename: Mohamed L
authors.initials: ML
authors.lastname: Ashour
authors.affiliation: a Faculty of Pharmacy, Department of Pharmacognosy , Ain Shams University , Cairo , Egypt.
authors.forename: Omayma A
authors.initials: OA
authors.lastname: Eldahshan
authors.affiliation: a Faculty of Pharmacy, Department of Pharmacognosy , Ain Shams University , Cairo , Egypt.
authors.forename: Abdel Nasser B
authors.initials: AN
authors.lastname: Singab
mesh_terms: D000972:Antineoplastic Agents, Phytogenic / Q000737:chemistry / Q000494:pharmacology*; D047310:Apigenin; D044946:Biflavonoids / Q000737:chemistry* / Q000494:pharmacology*; D029402:Bignoniaceae / Q000737:chemistry*; D045744:Cell Line, Tumor; D051357:Cyclin-Dependent Kinase 2 / Q000037:antagonists & inhibitors; D004354:Drug Screening Assays, Antitumor; D004791:Enzyme Inhibitors / Q000494:pharmacology; D006801:Humans; D044949:Kaempferols; D009682:Magnetic Resonance Spectroscopy; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D010936:Plant Extracts / Q000737:chemistry / Q000494:pharmacology; D018515:Plant Leaves / Q000737:chemistry
chemical_list: D000972:Antineoplastic Agents, Phytogenic; D044946:Biflavonoids; D004791:Enzyme Inhibitors; D044949:Kaempferols; D010936:Plant Extracts; C000618914:kaempferol (6-8')apigenin; D047310:Apigenin; D051357:Cyclin-Dependent Kinase 2
keywords: Bignoniaceae; Jacaranda acutifolia; biflavonoid; cytotoxic activity; molecular docking