基于数据挖掘探究中医治疗放射性皮炎的用药规律及作用机制

Medication Rules and Mechanisms of Traditional Chinese Medicine in the Treatment of Radiodermatitis Based on Data Mining

目的 探究中医处方治疗放射性皮炎(Radiodermatitis,RD)的用药规律及作用机制。方法 首先通过中英文数据库检索治疗RD的中医处方,分析处方内所含中药的使用频率和关联规则,总结治疗RD的核心处方。然后通过网络药理学方法探究核心处方的有效成分及治疗RD的潜在靶点与通路,并采用分子对接技术评估潜在靶点与活性成分之间的相互作用。结果 共计筛选出78篇文献,78个中药处方,累计纳入117种中草药。治疗RD的高频药物有紫草、黄柏、黄连、大黄、冰片、黄芩等,药性以寒为主,药味以苦为主,药物归经以肝经、脾经为主,药物功效以清热类为主。关联规则分析显示,“黄芩-黄柏”“黄芩-黄连-黄柏”“大黄-黄芩-黄连-黄柏”分别是二联至四联中支持度、置信度最高的组合。网络药理学分析核心处方“黄芩-黄连-黄柏-大黄”共计有效成分213个,与RD的交集靶点143个,筛选得5个关键靶点,即JUN、MAPK1、RELA、TP53和AKT1。富集分析结果显示,核心处方治疗RD的机制涉及IL-17、TNF、PI3K-Akt炎症相关信号传导和细胞凋亡途径。分子对接结果显示,槲皮素、芹菜素、汉黄芩素与筛选的潜在靶点具有较好的结合能力。结论 基于数据挖掘,总结出中药治疗RD的核心处方,并通过网络药理学和分子对接研究其治疗RD的潜在有效成分、靶点和相关信号通路,为中药治疗RD的临床应用提供理论依据。

Objective To investigate the medication rules and mechanisms of traditional Chinese Medicine(TCM)prescriptions in the treatment of radiodermatitis(RD).Methods Initially,TCM prescriptions for RD were retrieved from both Chinese and English databases,and the usage frequency and association rules of the Chinese herbs contained therein were analyzed to identify core prescriptions for RD treatment.Subsequently,the active components of these core prescriptions and their potential targets and pathways in the treatment of RD were examined through network pharmacology,and the interactions between potential targets and active components were assessed via molecular docking.Results Seventy-eight articles and 78 TCM prescriptions were screened,encompassing 117 herbal medicines.Frequently used herbs for RD treatment included Radix Arnebiae,Cortex Phellodendri Chinensis,Rhizoma Cptidis,Radix et Rhizoma Rhei,Borneolum Syntheticum,Radix Scutellariae,predominantly characterized by cold properties and bitter taste.These herbs mainly acted on the liver and spleen meridians and were used for their heat-clearing effects.Association rule analysis identified Radix Scutellariae-Cortex Phellodendri Chinensis,Radix Scutellariae-Rhizoma Cptidis-Cortex Phellodendri Chinensis,and Radix et Rhizoma Rhei-Radix Scutellariae-Rhizoma Cptidis-Cortex Phellodendri Chinensis as the most supported and confident combinations in duplex to quadruplex connections.Network pharmacology of the core prescription Radix Scutellariae-Rhizoma Cptidis-Cortex Phellodendri Chinensis-Radix et Rhizoma Rhei revealed 213 active components intersecting with 143 potential RD targets,which identified five key targets:JUN,MAPK1,RELA,TP53,and AKT1.Enrichment analysis indicated that the mechanisms of the core prescriptions targeting RD involved IL-17,TNF,and PI3K-Akt inflammation-related signaling pathways as well as apoptosis pathways.Molecular docking showed substantial binding affinity between selected potential targets and active components such as quercetin,apigenin,and baicalein.Conclusion Data mining identified the core TCM prescriptions for RD treatment,and elucidated their potential active components,targets,and associated signaling pathways through network pharmacology and molecular docking.This provides a theoretical foundation for the clinical application of TCM in treating RD.