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中文摘要：
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：通过分子一靶标，靶标一靶标和分子一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。
英文摘要：
Computational pharmacological methods were used to study the theraputic mechanism of Siwu decoction （SwD） for psoriasis through the analysis of chemical space, molecular docking and the technology of network. Results show that： （1） More than half compounds in SwD have good drug-like properties in their chemical spaces; （2） The possible action mechanism is illuminated and potential active-molecules, molecule groups are found by molecular docking between 295 compounds in SwD and 51 drug targets related to psoriasis. The results reveal the molecular mechanism of multi-targets, multi-drugs, and multi-pathways in SwD; （3） Explore compatibility Law with SwD in treatment of psoriasis by analyzing the complex parameters of compound-target-disease network. Conclusions： SwD has good properties for oral absorption and might perform anti-psoriatic epidermal proliferation, angiogenesis and abnormal immune mechanism adjustment mainly through maerophage metalloelastase, epidermal growth factor receptor, nitric oxide synthase, etc. by analyzing the molecule-target, target-target, molecule-molecule networks. Angelica plays an important role in SwD for the treatment of psoriasis.
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