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目的:阐明复方丹参方的效应物质基础和作用机制,为该复方的临床合理用药提供参考。方法:采用传统中药药理数据库(TCMSP),从复方丹参方中筛选出101个候选化合物,以血管紧张素Ⅰ转化酶(ACE),羟甲基戊二酰基辅酶A(HMGR),人热休克蛋白90激酶(HSP90),过氧化物酶体增生物激活受体γ(PPAR-γ),凝血酶(thrombin),血管内皮生长因子受体激酶Ⅱ(VEGFR2),雄激素受体(AR)及环氧合酶2(COX-2)共8个冠心病相关靶点为研究对象,采用Auto Dock Vina分子对接程序探索以上化学成分和靶点的相互作用。结果:复方丹参方中丹参隐螺内酯作用于6个靶点,16个化合物能作用于2个以上的靶点,另外还有5个化合物能作用于1个靶点。结论:复方丹参方中丹参为君药,三七和冰片分别作为臣药和佐使药,对该复方的作用机制有了更好的理解。
Objective: To clarify the effect of Fufang Danshen prescription material basis and mechanism for the clinical rational use of the compound to provide a reference. Methods: A total of 101 candidate compounds were selected from the traditional Chinese medicine pharmacopoeia database (TCMSP). The data of ACE, HMGR, 90 kinase (HSP90), peroxisome proliferator activated receptor γ (PPAR-γ), thrombin, vascular endothelial growth factor receptor kinase Ⅱ (VEGFR2), androgen receptor (AR) Oxygenase 2 (COX-2) a total of 8 coronary heart disease-related targets for the study, Auto Dock Vina molecular docking program to explore the above chemical composition and target interaction. Results: The compound Salvia miltiorrhiza square Danshen Hyproxyprogesterone in six targets, 16 compounds can act on more than two targets, in addition to five compounds can act on a target. CONCLUSION: Salvia miltiorrhiza is the dominant drug in Radix Salviae Miltiorrhizae, and Panax notoginseng and borneol are respectively used as cough medicine and adjuvant drug, which has a better understanding of the mechanism of action of this compound.