title: Constituents from Vitex negundo var. heterophylla and their inhibition of nitric oxide production.
abstract: An iridoid glucoside, 10-p-hydroxybenzoyl-6β-hydroxyiridoid 1-O-β-D-(6'-O-p-hydroxybenzoyl)-glucopyranoside (1), and a phenol glucoside, 4-hydroxyphenethanol 3-O-β-D-(6'-O-p-hydroxybenzoyl)-glucopyranoside (2), along with nine known compounds (3-11) were isolated from the dried leaves of Vitex negundo var. heterophylla. Their structures were elucidated by extensive analysis of NMR spectra. All of the isolated compounds were evaluated for their inhibitory effects on nitric oxide production in RAW 264.7 macrophages. Compounds 2 and 3 exhibited obvious inhibitory effects on NO production with IC50values of 30.76 and 49.89 μM, respectively. Molecular docking studies of compounds 2 and 3 with nitric oxide synthase (NOS) further confirmed the above results.
authors.affiliation: Key Laboratory of Structure-Based Drug Design and Discovery, Department of Natural Products Chemistry, School of Traditional Chinese Materia Medica, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China.
authors.forename: Chongyue
authors.initials: C
authors.lastname: Qiu
authors.affiliation: Key Laboratory of Structure-Based Drug Design and Discovery, Department of Natural Products Chemistry, School of Traditional Chinese Materia Medica, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China.
authors.forename: Liang
authors.initials: L
authors.lastname: Tong
authors.affiliation: Key Laboratory of Structure-Based Drug Design and Discovery, Department of Natural Products Chemistry, School of Traditional Chinese Materia Medica, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China.
authors.forename: Ting
authors.initials: T
authors.lastname: Yuan
authors.affiliation: Key Laboratory of Structure-Based Drug Design and Discovery, Department of Natural Products Chemistry, School of Traditional Chinese Materia Medica, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China.
authors.forename: Fei
authors.initials: F
authors.lastname: Wang
authors.affiliation: School of Pharmacy, Yantai University, Yantai, 264005, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Zhao
authors.affiliation: Key Laboratory of Structure-Based Drug Design and Discovery, Department of Natural Products Chemistry, School of Traditional Chinese Materia Medica, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, China. syzyclx@163.com.
authors.forename: Lixia
authors.initials: L
authors.lastname: Chen
mesh_terms: D000818:Animals; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D009569:Nitric Oxide / Q000096:biosynthesis / Q000737:chemistry*; D018515:Plant Leaves / Q000737:chemistry*; D020950:Vitex / Q000737:chemistry*
chemical_list: D009569:Nitric Oxide
keywords: Iridoid; Molecular docking; Nitric oxide; Phenol; Vitex negundo var. heterophylla