基于网络药理学及分子对接技术探讨洁童阴洗液治疗女童外阴阴道炎的作用机制

Mechanism of Jietongyin Lotion in the Treatment of Vulvovaginitis in Girls Based on Network Pharmacology and Molecular Docking Technology

目的:利用网络药理学和分子对接技术探讨洁童阴洗液治疗女童外阴阴道炎的关键靶点及信号通路,并分析其作用机制。方法:检索洁童阴洗液有效成分及相关靶点、女童外阴阴道炎相关靶点,进行网络拓扑学分析,预测筛选洁童阴洗液治疗女童外阴阴道炎的潜在靶点蛋白与相关信号通路,进行洁童阴洗液主要活性成分与核心靶点的分子对接分析。结果:网络药理学分析结果提示洁童阴洗液的主要活性成分为槲皮素、木犀草素、汉黄芩素等,涉及肿瘤蛋白p53(TP53)、丝氨酸/苏氨酸蛋白激酶(AKT)1、表皮生长因子受体(EGFR)、白细胞介素(IL)-6等可能关键靶点,IL-17、核因子-κB(NF-κB)、雌激素等信号通路,为治疗女童外阴阴道炎的关键作用途径,并通过分子对接分析得到验证。结论:洁童阴洗液可通过多靶点、多途径治疗女童外阴阴道炎,本研究可为后续实验研究及临床应用提供参考。

Objective:To explore the key target and signal pathway of Jietongyin lotion in the treatment of vulvovaginitis in girls by using network pharmacology and molecular docking technology,and to analyze its mechanism.Methods:The active components and related targets of Jietongyin lotion and related targets of vulvovaginitis in girls were retrieved for network topology analysis.The potential target protein and related protein pathways of Jietongyin lotion in the treatment of girls with vulvovaginitis were predicted and screened to study the molecular docking between the main active components and core targets of Jietongyin lotion.Results:The network pharmacological analysis suggested that the main active components of Jietongyin lotion were quercetin,mignonin,and baicalein,which involved tumor protein p53(TP53)and serine/threonine kinase proteins(AKT)1,epidermal growth factor receptor(EGFR),interleukine(IL)-6 and other possible key targets,IL-17,nuclear factor kappa B(NF-κB),estrogen and other signaling pathways were the key pathways for the treatment of vulvovaginitis in girls.The results were verified by molecular docking technology.Conclusion:Jietongyin lotion in the treatment of vulvovaginitis in girls through multi-targets and multi-pathways,which provides theoretical basis for subsequent experimental studies and clinical application.