目的:探索独活寄生汤治痿和治痹的药效物质基础。方法:构建独活寄生汤化学成分分子数据库,运用分子对接技术,探讨其与软骨退变靶点基质金属蛋白酶-13(MMP-13)、炎症靶点环氧化酶-2(COX-2)受体的相互作用。结果:独活寄生汤的药效物质基础含有25个化合物,主要为苷类、黄酮类化合物,其中,16个化合物能与MMP-13有较好的作用,14个化合物能与COX-2有较好的作用,5个化合物对MMP-13和COX-2均有作用效应。结论:独活寄生汤可通过MMP-13和COX-2的有效成分群分别起到治痿、治痹或痿痹同治的作用,为其在骨关节炎中的临床运用提供新依据。
Objective:To explore the pharmaeodynamic material basis of Duhuo Jisheng Tang ( 独活寄生汤 ) treating flaccidity and Bi.Methods:A molecular database of the chemical constituents of Duhuo Jisheng Tang was established.Molecular docking technology was used to explore its interaction with MMP-13 and COX-2.Results:The material basis for the efficacy of Duhuo Jisheng Tang contained 25 compounds,mainly including glycosides and flavonoids,among which 16 compounds could have a better interaction with MMP-13, 14 compounds could have a better interaction with COX-2,and 5 compounds had interactions with MMP-13 and COX-2.Conclusion:Duhuo Jisheng Tang treats flaccidity and bi by effective components of MMP-13 and COX-2, which can provide a new basis for its clinical use in osteoarthfitis.