目的利用分子对接技术研究红花治疗胆汁淤积的作用机制。方法在中药系统药理学数据库中筛选红花潜在活性成分,从比较毒理基因组数据库和Drug-Bank数据库中搜集胆汁淤积治疗靶点,利用Discovery Studio 2016软件Lib Dock模块进行分子对接...目的利用分子对接技术研究红花治疗胆汁淤积的作用机制。方法在中药系统药理学数据库中筛选红花潜在活性成分,从比较毒理基因组数据库和Drug-Bank数据库中搜集胆汁淤积治疗靶点,利用Discovery Studio 2016软件Lib Dock模块进行分子对接,分析成分和靶点的相互作用和网络特征。结果分子对接发现红花19个成分与胆汁淤积治疗靶点:法尼醇X受体、孕烷受体、雄烷受体有较强作用,可通过多成分协同调节胆汁酸合成与转运,调控胆红素代谢发挥治疗作用。成分-靶点作用网络分析发现,羟基红花黄色素A、蔷薇苷、pyrethrin Ⅱ、核黄素、(+)丁香树酯醇、lirioresinol A、6-hydroxynaringenin、红花苷、槲皮素等9个成分作用于2个以上靶点,可能为红花抗胆汁淤积主要成分。结论红花多个成分作用于调节胆汁酸和胆红素代谢靶点,通过抑制胆汁酸生成,促进胆汁酸、胆盐和胆红素排出肝脏的途径治疗胆汁淤积。展开更多
Two new sesquiterpenes, innatifolone A(1) and pinnatifolone B(2), along with 6 known compounds, furostan(3), isocalamendiol(4), pluviatolide(5),(8S,8'R,9S)-cubebin(6), 2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethox...Two new sesquiterpenes, innatifolone A(1) and pinnatifolone B(2), along with 6 known compounds, furostan(3), isocalamendiol(4), pluviatolide(5),(8S,8'R,9S)-cubebin(6), 2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl) tetrahydrofuran(7), and methyl 3-acetoxy-12-oleanen-28-oate(8), were isolated from Mongolian herb Syringa pinnatifolia.展开更多
文摘Two new sesquiterpenes, innatifolone A(1) and pinnatifolone B(2), along with 6 known compounds, furostan(3), isocalamendiol(4), pluviatolide(5),(8S,8'R,9S)-cubebin(6), 2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl) tetrahydrofuran(7), and methyl 3-acetoxy-12-oleanen-28-oate(8), were isolated from Mongolian herb Syringa pinnatifolia.