基于网络药理学探讨乳香——没药药对干预乳腺增生症的分子机制

A Network Pharmacology Approach to Explore the Molecular Mechanism of Frankincense-Myrrh Pair on Breast Hyperplasia

目的采用网络药理学方法,探索乳香-没药药治疗乳腺增生症的作用机制。方法本研究利用中医药数据库收集筛选乳香-没药药对的化学成分信息,通过Pubchem数据库以及其他化学结构数据库转换成各活性成分有效成分的SMILES式,将SMILES式输入Swiss Target Prediction数据库进行靶点预测,利用DAVID数据库进行KEGG通路注释分析,最后利用Cytoscape根据收集乳香没药药对的预测靶点和进一步的富集分析,构建活性成分-预测靶点网络模型和成分-靶点-通路网络模型,并分析其作用机制。结果乳香-没药药对抑制乳腺增生主要有乳香脂酸、因香酚、没药甾酮、曼苏宾酸等51个活性成分;雄激素受体、细胞色素P450、微管相关tau蛋白、雌激素受体、类固醇17α-羟化酶/17,20裂解酶、糖皮质激素受体、盐皮质激素受体等271个作用靶点;类固醇激素生物合成,雄激素和雌激素代谢,VEGF、ErbB、mTOR信号通路;类固醇生物合成6条信号通路参与乳腺增生症调控;类固醇生物合成、类固醇代谢、激素调节、激素代谢14个生物过程。结论本研究通过对乳香-没药药对的网络药理学分析,发现了乳香-没药药对乳腺增生症治疗的相关信号通路和生物过程,其作用机制主要涉及抑制乳腺细胞增生、促进细胞凋亡自噬、抑制炎症反应和血管新生等方面,体现了乳香-没药药对在"多成分-多靶点-多途径"方面对乳腺增生症的治疗作用,为理解乳香-没药药对中各有效组分的协同作用提供科学依据。

Objective To explore the mechanism of Frankincense-Myrrh Pair(Ruxiang-Moyao pair,RMP)on Mammary gland hyperplasia by a network pharmacology approach.Method Collect RMP’s compounds by traditional Chinese Medicine databases and input them into SWISS to get their potential targets.Then do KEGG-pathway analysis by DAVID database.Finally,draw and analyze the network by Cytoscape and information above.Result Several networks are set up and analyzed.Conclusion According to this network pharmacology approach,some signaling pathways and biological processes are found,demonstrating RMP’s treatment of Mammary gland hyperplasia in"multi-compound–multi-target-multi-pathway".This information not only offers reference to clinical and future research,but also provides evidence for the synergistic effect of the active components in RMP.