摘要
目的基于网络药理学和分子对接探讨八珍汤防治乳腺癌的分子机制。方法利用数据平台筛选八珍汤活性成分,利用数据库筛选乳腺癌相关靶点。以软件构建“药物-化合物-靶点”网络,并用分子对接验证有效成分与靶点亲和力。结果筛选出八珍汤有效成分2336个,潜在靶点211个。分子对接结果显示活性成分槲皮素、柚皮素、山柰酚与关键靶点ATK1、CASP3具有良好亲和力。结论初步明确八珍汤治疗乳腺癌的作用机制是通过山柰酚、槲皮素、柚皮素等活性成分作用于AKT1、CASP3等关键靶点。
Objective To investigate the molecular mechanism of Bazhen Decoction against breast cancer based on network pharmacology and molecular docking.Methods To screen the active ingredients of Bazhen Decoction using the data platform,and to screen the targets related to breast cancer using the database.The“drug-compound-target”network was constructed by software,and the affinity between active ingredients and targets was verified by molecular docking.Results A total of 2336 active ingredients and 211 potential targets were identified in Bazhen Decoction.The molecular docking results showed that the active ingredients quercetin,naringenin and kaempferol had good affinity with the key targets ATK1 and CASP3.Conclusion This study preliminarily clarified the mechanism of action of Bazhen Decoction could be prepared by the active ingredient of kaempferol quercetin,naringenin,etc.acts on key targets such as AKT1 and CASP3.
作者
党文军
聂宏
刘爽
孔祥颖
姜雨微
DANG Wenjun;NIE Hong;LIU Shuang;KONG Xiangying;JIANG Yuwei(Heilongjiang University of Chinese Medicine,Jiamusi,Heilongjiang 154007,China;Jiamusi University,Jiamusi,Heilongjiang 154007,China)
出处
《现代医药卫生》
2024年第6期923-929,共7页
Journal of Modern Medicine & Health
基金
2022年度黑龙江省卫生健康委员会科技计划项目(20220404080704)
2022年黑龙江省青年科技人才托举工程项目(2022QNTJ016)。
关键词
八珍汤
乳腺癌
网络药理学
机制预测
分子对接
Bazhen Decoction
Breast cancer
Network pharmacology
Mechanism prediction
Molecular docking
