| 摘要: |
| 目的:研究白术治疗前列腺癌的潜在靶点和作用机制。方法:使用公共数据库(TCMSP数据库、Genecard数据库、OMIM数据库、CTD数据库、DigSee数据库)，筛选出白术的潜在活性成分及药物治疗疾病的预测靶点、前列腺癌靶点，构建成分-疾病-靶点网络图。通过生物信息学分析，包括构建蛋白质-蛋白质相互作用网络(PPI)、基因本体(GO)和京都基因和基因组百科全书(KEGG)，随后进行分子对接验证研究结果。结果:筛选出白术治疗前列腺癌的7个有效活性成分及潜在的22个作用靶点，活性成分主要作用于IL-6、VEGFA、ACHE、NOS3、IL1B、PTGS2等靶点，通过调控PI3K-Akt等信号通路来达到治疗前列腺癌效果，分子对接提示白术中内酯成分与IL1B和ACHE有较好的结合。结论:本研究预测了白术治疗前列腺癌的活性成分、潜在靶点和分子机制，也揭示中药治疗恶性肿瘤的分子机制。 |
| 关键词: 白术 网络药理学 前列腺癌 分子对接 PI3K-Akt信号通路 |
| DOI：10.3969/j.issn.1007-6948.2021.03.011 |
| 投稿时间：2020-11-01 |
| 基金项目:湖南省中药局基金(2021041)；湖南省自然科学基金科卫联合基金(2018JJ6103)；长沙市科技计划基金(kq1801095)；湖南省教育厅科学基金(20C1154)；湖南省人民医院“131人才工程”基金(湘省医院发〔2020〕82号) |
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| Study the Mechanism of Atractylodes Macrocephala in Treatment of Prostate Cancer Through Network Pharmacology |
| TAN Wu-bin,LI Tie-qiu,LI Jia-hui |
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| Abstract: |
| Objective To study the potential targets and mechanism of Atractylodes macrocephala in the treatment of prostate cancer. Methods Public databases (TCMSP database, Genecard database, OMIM database, CTD database, DigSee database) were used to screen out the potential active ingredients of Atractylodes macrocephala and the predictive targets of drug treatment diseases, prostate cancer targets and construct components-disease-targets Network Diagram. Through bioinformatics analysis, this study included the construction of protein-protein interaction network (PPI), gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG). Molecular docking was then performed to validate the findings. Results Seven effective active ingredients and 22 potential targets of Atractylodes macrocephala were screened for the treatment of prostate cancer. The active ingredients mainly act on IL-6, VEGFA, ACHE, NOS3, IL1B, PTGS2 and other targets, as well as regulate PI3K-Akt. Other signal pathways were adopted to achieve the effect of treating prostate cancer. Molecular docking suggests that the lactone component of Atractylodes macrocephala binds well to IL1B and ACHE. Conclusion This study predicts the active ingredients, potential targets and molecular mechanisms of Atractylodes macrocephala in the treatment of prostate cancer and also reveals the molecular mechanisms of Chinese medicine in the treatment of malignant tumors. |
| Key words: Baizhu network pharmacology prostate cancer molecular docking PI 3 K-Akt signaling pathway |
