古方“四物汤”治疗银屑病计算机网络药理学研究

发布时间：2018-11-17 15:32

【摘要】：采用化学空间、分子对接、网络技术等计算机药理学方法,研究古方"四物汤"治疗银屑病的药理学作用机制。结果表明:(1)四物汤中分子在化学空间上具有类药性质;(2)运用分子对接方法将四物汤中295个化合物与银屑病51个公认的靶标相互联系,分析四物汤治疗银屑病的可能作用机理及活性分子、有效成分群,揭示了四物汤多靶点、多药物、多途径的分子作用机制;(3)通过复杂网络分析探索四物汤治疗银屑病的配伍规律。结论:四物汤具有较好口服吸收性质:通过分子-靶标,靶标-靶标和分子-分子的网络分析推测四物汤主要是通过金属蛋白酶、表皮生长因子受体、一氧化氮合酶等抗银屑病表皮增殖、血管生成及异常的免疫调节机制:当归在四物汤治疗银屑病中发挥重要的作用。
[Abstract]:The pharmacological mechanism of "Siwu Tang" in treating psoriasis was studied by means of chemical space, molecular docking and network technology. The results showed that: (1) the molecules in Siwu decoction had drug-like properties in chemical space; (2) the molecular docking method was used to connect 295 compounds in Siwu decoction with 51 recognized targets of psoriasis. The possible mechanism of Siwu decoction in the treatment of psoriasis was analyzed, and the active molecules and active component groups were also analyzed. The multiple targets of Siwu decoction were revealed. The molecular mechanism of multi-drug and multi-pathway; (3) to explore the compatibility of Siwu decoction in the treatment of psoriasis by complex network analysis. Conclusion: Siwu decoction has good oral absorption properties: through the network analysis of molecular-target, target-target and molecular-molecular, it is supposed that Siwu decoction is mainly through metalloproteinases, epidermal growth factor receptor, and so on. Nitric oxide synthase and other anti-psoriatic epidermis proliferation, angiogenesis and abnormal immunomodulatory mechanism: Angelica sinensis plays an important role in the treatment of psoriasis.
【作者单位】：广州中医药大学第二临床学院;北京大学化学与分子工程学院;广东省中医院;
【基金】：国家自然科学基金资助项目(81273964) 广东省财政专项:中医药治疗银屑病的系列研究(201105)
【分类号】：TP393.0;R285.5

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