基于网络药理学和分子对接技术研究艾叶对黑色素瘤的作用机制  

Molecular Mechanism of Folium Artemisiae Argvi in the Treatment of Melanoma Based on Network Pharmacology and Molecular Docking Technology

作　　者：何润之[1] 赵肖灵 刘建敏[3] 周亚净[4] 张小冲 程芳[6] He Runzhi;Zhao Xiaoling;Liu Jianmin;Zhou Yajing;Zhang Xiaochong;Cheng Fang(Third Department of Neurosurgey,Xingtai Peopled Hospital,Xingtai 054001,China;Cancer Laboratory,Xingtai People's Hospital^Xingtai 054001,China;Department of Hand and Foot Surgery,Xingtai People's Hospital,Xingtai 054001,China;Department of Anesthesiology,Xingtai People's Hospital,Xingtai 054001,China;Department of Science and Education,Xingtai People's Hospital,Xingtai 054001,China;Department of Dermatology^Xingtai People's Hospital,Xingtai 054001,China)

机构地区：[1]邢台市人民医院神经外三科,河北邢台054001 [2]邢台市人民医院肿瘤实验室,河北邢台054001 [3]邢台市人民医院手足外科,河北邢台054001 [4]邢台市人民医院麻醉科,河北邢台054001 [5]邢台市人民医院科教科,河北邢台054001 [6]邢台市人民医院皮肤科,河北邢台054001

出　　处：《南开大学学报（自然科学版）》2022年第2期21-30,共10页Acta Scientiarum Naturalium Universitatis Nankaiensis

基　　金：邢台市科技局基金(2020ZC233)。

摘　　要：基于网络药理学和分子对接技术探讨中药艾叶治疗黑色素瘤的作用机制.通过中药系统药理学数据库和分析平台筛选出艾叶的有效成分,通过GeneCards、OMIM、PharmGkb、TTD、DrugBank数据库查找与黑色素瘤相关的靶点.采用Cytoscape3.7.1软件,构建"药物-成分-靶点-疾病"网络图,借助STRING数据库平台构建蛋白质相互作用网络.并采用分子对接技术将主要活性成分槲皮素与FOS、HIF1A、IL-6、JUN、MAPK1、RELA进行分子对接.最后利用皮肤黑素瘤A375细胞模型进行体外实验验证,结果表明艾叶可能主要是通过其活性成分槲皮素实现其抗黑色素瘤的作用.Based on network pharmacology and molecular docking technology, the mechanism of Folium Artemisiae Argvi in the treatment of melanoma was discussed. The effective components of Folium Artemisiae Argvi were screened through the traditional Chinese Medicine System Pharmacology database and analysis platform(TCMSP), and the targets related to melanoma were found through Gene Cards, OMIM, Pharm Gkb,TTD and Drug Bank databases. Cytoscape 3.7.1 software, build the network diagram of "drug-component-targetdisease", and build the protein-to-protein interaction(PPI) with the help of string database platform. Molecular docking technology was used to dock quercetin with FOS, HIF1A, IL-6, JUN, MAPK1 and RELA. Finally,the A375 cell model of skin melanoma was used for experimental verification in vitro. The results showed that Folium Artemisiae Argvi may achieve its anti-melanoma effect mainly through its active ingredient quercetin.

关 键 词：艾叶 黑色素瘤 槲皮素 网络药理学 分子对接 

分 类 号：R285.1[医药卫生—中药学]