中国药物经济学2025，Vol.20Issue(5)：43-48,6.DOI:10.12010/j.issn.1673-5846.2025.05.007
基于网络药理学和分子对接分析补阳还五汤治疗药物相关性周围神经病变的作用机制
Analysising the Mechanism of Buyang Huanwu Decoction in the Treatment of Drug-related Peripheral Neuropathy based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective Network pharmacology and molecular docking were used to predict the mechanism of Buyang Huanwu decoction in the treatment of peripheral neuropathy associated with antineoplastic drugs,and the relevant targets were verified by clinical trials.Methods The active components and action targets of Buyang Huanwu decoction were screened by the pharmacological database and analysis platform of traditional Chinese medicine system and BATMAN-TCM,and the related targets of peripheral nerve injury caused by chemotherapeutic drugs were found from the online human Mendelian genetic database,and the drug-component-target network was constructed.The intersection target was introduced into STRING 11.5 analysis platform,PPI network was constructed and visual topology analysis was carried out to screen the core targets.Through the GO functional enrichment analysis and ΚEGG pathway enrichment analysis with clusterProfiler package in R software,the active components with high contents in Radix Astragali,Angelica sinensis,Radix Paeoniae Rubra,Dilong,Ligusticum chuanxiong,Carthamus tinctorius and peach kernel were docked with their predicted core targets,and the binding energy was calculated.A total of 33 patients with clinical TIPN were treated with Buyang Huanwu decoction for 4 weeks.Serum samples were collected before and 4 weeks after treatment.The levels of IL-6,TNF-α and MMP9 before and after treatment were detected by ELISA.Results A total of 187 active ingredients and 886 target genes were collected from the 7 traditional Chinese medicines in Buyang Huanwu Decoction.There are 45 potential targets for the treatment of TIPN,and the key targets are IL-6,TNF and MMP9.The results of ΚEGG signaling pathway analysis showed that the pathways involved in the treatment of TIPN with the traditional Chinese medicine components of Buyang Huanwu Decoction included the IL-17 signaling pathway,TNF signaling pathway,MAPΚ signaling pathway,etc.Molecular docking findings show that quercetin,kaempferol,β-sitosterol and stigmasterol have strong binding activities with IL-6,TNF and MMP9,and the one with the lowest binding energy is the complex of quercetin and MMP9.The results of clinical trials showed that the levels of IL-6,TNF-α and MMP9 in TIPN patients after treatment with Buyang Huanwu Decoction were significantly lower than those before treatment(P＜0.05).Conclusion The active ingredients of Buyang Huanwu decoction,quercetin,kaempferol,β-sitosterol and stigmasterol,may reduce the levels of IL-6,TNF-α and MMP9 through the TNF signaling pathway,IL-17 signaling pathway,MAPΚE signaling pathway,etc.,thereby alleviating the symptoms of peripheral neuropathy in patients with TIPN.关键词
补阳还五汤/网络药理学/分子对接/治疗相关周围神经病变/炎症因子/信号通路Key words
Buyang Huanwu decoction/Network pharmacology/Molecular docking/TIPN/Inflammatory factors/Signaling pathway分类
医药卫生引用本文复制引用
朱红青,尤轶,谢磊,汪晶晶,万小华,李必波..基于网络药理学和分子对接分析补阳还五汤治疗药物相关性周围神经病变的作用机制[J].中国药物经济学,2025,20(5):43-48,6.基金项目
江苏省泰州市中医药科技发展项目(TZ202114) （TZ202114）
