基于网络药理和分子对接探究山柰酚治疗抵抗性前列腺癌的机制

毛正; 谭武宾; 陈贵恒; 郑珏; 陈昊; 李铁求; 杨科

文章摘要

毛正，谭武宾，陈贵恒，郑珏，陈昊，李铁求，杨科.基于网络药理和分子对接探究山柰酚治疗抵抗性前列腺癌的机制[J].实用中西医结合临床,2022,22(4):8-13,24

基于网络药理和分子对接探究山柰酚治疗抵抗性前列腺癌的机制

Exploring the Mechanism of Kaempferol in the Treatment of Castration-Resistant Prostate Cancer Based on Network Pharmacology and Molecular Docking

DOI：

中文关键词: 去势抵抗性前列腺癌网络药理学分子对接山柰酚靶点信号通路

英文关键词: Castration-resistant prostate cancer Network pharmacology Molecular docking Kaempferol Target Signaling pathway

基金项目:湖南省中医药管理局基金项目（编号：2021041）

作者	单位
毛正，谭武宾，陈贵恒，郑珏，陈昊，李铁求，杨科	湖南省长沙县人民医院；湖南省人民医院

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中文摘要:

目的：利用网络药理学方法和分子对接技术分析山柰酚治疗去势抵抗性前列腺癌（CRPC）的靶点，并探讨其相关分子机制。方法：从DisGeNET数据库中检索CRPC的靶点，同时，从药物靶点数据库Swiss Target Prediction数据库获取山柰酚治疗靶点，通过韦恩图工具获取靶点交集作为山柰酚抗CRPC的核心靶点，通过R studio中的“clusterProfiler”包对核心靶点进行GO和KEGG通路富集分析，预测山柰酚治疗CRPC的生物学过程和关键信号通路。结果：挖掘了山柰酚治疗CRPC的29个核心靶点，ESR1、SRC、EGFR、AKT1、PTGS2、CYP19A1、MMP9、ABCG2、ESR2、IGF1R等，主要通过调控内分泌抵抗通路、EGFR酪氨酸激酶抑制剂耐药性、蛋白聚糖在癌症、PI3K-AKT信号通路、雌激素信号通路等信号通路。结论：本研究预测了山柰酚治疗CRPC的核心靶点、生物学过程以及关键信号通路，将有助于山柰酚在去势抵抗性前列腺癌治疗中的临床应用。

英文摘要:

Objective: To analyze the targets of kaempferol in the treatment of castration-resistant prostate cancer (CRPC) using network pharmacology methods and molecular docking techniques, and to explore its related molecular mechanisms. Methods: The targets of CRPC were retrieved from the DisGeNET database, the therapeutic targets of kaempferol were obtained from the Swiss Target Prediction database, and the target intersection was used as the core target of kaempferol against CRPC through the Venn diagram tool. “ClusterProfiler” package in R studio to perform GO and KEGG pathway enrichment analysis on the core targets and predict the biological processes and key signaling pathways of kaempferol for CRPC treatment. Results: The 29 core targets of kaempferol treatment for CRPC were identified: ESR1, SRC, EGFR, AKT1, PTGS2, CYP19A1, MMP9, ABCG2, ESR2, IGF1R, etc. mainly through the regulation of the endocrine resistance pathway, EGFR tyrosine kinase inhibitor resistance, Proteoglycans are found in cancer, the PI3K-AKT signaling pathway and Estrogen signaling pathway, etc. Conclusion: This study predicted the core target, biological processes and key signaling pathways of kaempferol treatment for CRPC, which will contribute to the clinical application of kaempferol in the treatment of castration-resistant prostate cancer.

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