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目的:利用生物信息学方法分析白术黄芪汤的分子网络及与细胞免疫相关的生物通路,为白术黄芪汤免疫调节机制研究提供思路和依据。方法:利用在线数据库查找白术黄芪汤组方中药含有的化学成分,在Pub Chem数据库检索化学成分的靶蛋白,将靶蛋白上传至生物信息分析软件,分析上传的靶蛋白构成的分子网络及与细胞免疫相关的生物通路。结果:共检索到白术黄芪汤化学成分的靶蛋白61个,构建成6个分子网络,得到多条与细胞免疫相关的生物通路,前3个生物通路分别是Calcium-induced T Lymphocyte Apoptosis,CCR5 Signaling in Macrophages和IL~(-1)2 Signaling and Producing in Macrophages。参与前3个生物通路的白术黄芪汤的靶蛋白包括T细胞抗原受体(T cell receptor,TCR),蛋白激酶C(protein kinase C,PKC),过氧化物酶体增殖物激活受体gamma(peroxisome proliferator activated receptor gamma,PPARG)。结论:通过生物信息学分析,得到了白术黄芪汤的复杂分子网络及与细胞免疫相关的生物通路,为其免疫调节机制研究提供了一定的思路和依据。
OBJECTIVE: To analyze the molecular networks of Atractylodes macrocephalae Astragalus with bioinformatics methods and biological pathways related to cellular immunity, to provide ideas and basis for the study of immunomodulatory mechanism of Atractylodes Astragalus. Methods: The chemical constituents contained in the Chinese herbs of Baizhu Huangqi Decoction were searched by on-line database. The target proteins of chemical constituents were retrieved from the Pub Chem database. The target proteins were uploaded into the bioinformatics analysis software. The molecular networks of the target proteins were analyzed, Immune-related biological pathways. Results: A total of 61 target proteins of Atractylodes macrocephala were identified. Six molecular networks were constructed and many biological pathways related to cellular immunity were obtained. The first three biological pathways were Calcium-induced T Lymphocyte Apoptosis, CCR5 Signaling in Macrophages and IL ~ (-1) 2 Signaling and Producing in Macrophages. The target proteins of Atractylodes macrocephala and Astragalus membranaceus involved in the first three biological pathways include T cell receptor (TCR), protein kinase C (PKC), peroxisome proliferator activated receptor gamma ( peroxisome proliferator activated receptor gamma, PPARG). Conclusion: By means of bioinformatics analysis, the complex molecular network of Atractylodes macrocephalae and its biological pathway related to cellular immunity were obtained, which provided some ideas and basis for the study of immune regulation mechanism.