中国临床药理学杂志2025，Vol.41Issue(12)：1658-1663,6.DOI:10.13699/j.cnki.1001-6821.2025.12.002
基于网络药理学及分子对接探讨中药治疗乳腺癌化疗后周围神经病变的研究
Investigating the treatment of breast cancer chemotherapy-induced peripheral neuropathy using network pharmacology and molecular docking of traditional Chinese medicine
摘要
Abstract
Objective To explore the herbal medicine application rules and potential mechanisms in real-world patients with chemotherapy-induced peripheral neuropathy(CIPN)after breast cancer treatment,based on network pharmacology and molecular docking strategies.Methods A retrospective study was conducted to select 216 cases(92 patients)of breast cancer patients who received CIPN treatment at Sun Yat-sen Memorial Hospital of Sun Yat-sen University from January 2013 to December 2023.Data mining was employed to identify core herbal formulations,followed by network topology analysis using TCMSP,STRING,and Cytoscape 3.9.1.This process aimed to identify effective components and core regulatory genes during the disease treatment process.Gene ontology(GO)and kyoto encyclopedia of genes and genomes(KEGG)analysis were conducted,and molecular docking was performed using Autodock and PyMOL to verify the molecular docking results.Results The core formula identified was:Codonopsis pilosula,Poria cocos,Hedyotis diffusa,Turtle shell,Rhizoma Gastrodiae,and Ligusticum chuanxiong;the core active components were quercetin,8,11-octadecadienoic acid methyl ester,palmitic acid,7,22E-dienoyl-3-geranylgeraniol,and stigmasterol;the top three core targets screened based on degree centrality were glyceraldehyde-3 phosphate dehydrogenase(GAPDH),Erb-B2 receptor tyrosine kinase 2(ERBB2),heat shock protein hs 90-alpha(HSP90AA1).The KEGG analysis showed that the cancer pathway,phosphatidylinositol 3-inase-protein kinase B(PI3K-Akt),mitogen-activated protein kinase(MAPK),and janus activated kinase/signal transducer and activator of transeription(JAK-STAT)signaling pathways played a major role in the therapeutic effects;the molecular docking data showed that the binding state of quercetin with brain-derived neurotrophic factor(BDNF)was the most stable.Conclusion The core formula consisting of Tangshen,Fuling,Baihuashecao,Biye,Tianma,and Chuanxiong has shown strong theoretical support and potential therapeutic effects in the treatment strategy for CIPN in breast cancer patients.关键词
中药/乳腺癌/化疗诱导的周围神经病变/数据挖掘/网络药理学/分子对接Key words
traditional Chinese medicine/breast cancer/chemotherapy-induced peripheral neuropathy/data mining/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
叶穗雯,陈珺仪,伍俊妍,毕晓莹,吕晓枝,李建军,姚和瑞,陈娜,覃涛,梁杰鹏,麦清秀..基于网络药理学及分子对接探讨中药治疗乳腺癌化疗后周围神经病变的研究[J].中国临床药理学杂志,2025,41(12):1658-1663,6.基金项目
广东省中医药局科研课题基金资助项目(20231080) （20231080）
