基于UPLC-Q-TOF-MS及网络药理学的西黄丸入血成分抗乳腺增生作用机制研究

Mechanism of anti-hyperplasia of mammary glands of Xihuang Pills blood-entering component based on UPLC-Q-TOF-MS and network pharmacology

该研究基于网络药理学和分子对接方法探究西黄丸入血成分抗乳腺增生作用机制,并通过人乳腺上皮细胞MCF10A增殖模型对西黄丸入血成分的药效和关键靶点进行实验验证。为阐明西黄丸抗乳腺增生物质基础及作用机制,首先采用UPLC-Q-TOF-MS对西黄丸入血成分进行定性分析,共鉴定出22个入血成分;以入血成分为研究对象,进行网络药理学预测和分子对接验证,最终筛选出3个关键靶点,分别为JAK1、SRC及CDK1;体外实验表明西黄丸可抑制MCF-10A细胞增殖,促进MCF-10A细胞凋亡,并降低细胞中JAK1、SRC及CDK1靶标的表达。综上可得,西黄丸能通过调控JAK1、SRC及CDK1表达,促进乳腺上皮细胞凋亡,进而发挥抗乳腺增生作用,为阐明西黄丸抗乳腺增生药效物质基础提供实验依据。

In this study,based on network pharmacology and molecular docking method,the mechanism of anti-hyperplasia of mammary glands of Xihuang Pills blood-entering components was explored,and the efficacy and key targets of Xihuang Pills bloodentering components were experimentally verified by MCF-10A proliferation model of human mammary epithelial cells.In order to clarify the material basis and mechanism of Xihuang Pills in realizing anti-hyperplasia of mammary glands,the blood-entering components of Xihuang Pills were qualitatively analyzed by UPLC-Q-TOF-MS,and 22 blood-entering components were identified.By taking the blood-entering components as the research object,the network pharmacology prediction and molecular docking verification were carried out,and finally,three key targets were screened out,namely JAK1,SRC,and CDK1.In vitro experiments show that Xihuang Pills can inhibit the proliferation of MCF-10A cells,promote the apoptosis of MCF-10A cells,and reduce the expression of JAK1,SRC,and CDK1 targets in cells.To sum up,Xihuang Pills can promote the apoptosis of mammary epithelial cells by regulating the expression of JAK1,SRC,and CDK1 and then play an anti-hyperplasia role,which provides an experimental basis for clarifying the material basis of Xihuang Pills for anti-hyperplasia effect.