基于网络药理学和分子对接探讨莳萝子油脂抗肿瘤的生物活性  

Exploring the Antitumor Biological Activity of Dill Oil based on Network Pharmacology

作　　者：蒋佳敏 陈荣玲 牛圣皓 胡尔西丹·伊麻木[1] Jiang Jiamin;Chen Rongling;Niu Shenghao;Huerxidan·Yimamu(Pharmacy College of Xinjiang Medical University,Urumqi 830017,China)

机构地区：[1]新疆医科大学药学院,新疆乌鲁木齐830017

出　　处：《广东化工》2023年第9期56-59,共4页Guangdong Chemical Industry

摘　　要：中药莳萝子油脂含有多种脂肪酸,本文旨基于网络药理学揭示抗肿瘤的关键基因,并基于分子对接技术识别并探讨莳萝子油脂中脂肪酸成分对肿瘤的作用机制,为其药效物质基础研究提供参考。本研究通过定性分析和筛选获得15个活性成分,结合SwissTargetPrediction数据库和TCMSP数据库预测靶点获得相关基因,疾病基因和成分靶点基因交集得到164个基因,用Cytoscope筛选出10个关键基因,通过David数据库导入微生信得到KEGG通路15条,GO分析条目45条。运用autodock分子对接技术发现莳萝子油脂中的4种活性成分与关键基因的结合能力较好。本实验揭示了肿瘤的关键基因,初步揭示莳萝子脂肪酸抗肿瘤的有效成分及潜在靶点。Chinese medicine dill seed oil contains a variety of fatty acids,this paper aims to reveal the key anti-tumor genes based on network pharmacology,and based on molecular docking technology to identify and explore the mechanism of action of fatty acid components in dill seed oil on tumors,and provide a reference for the basic research of medicinal efficacy substances.In this study,15 active ingredients were obtained through qualitative analysis and screening,15 KEGG pathways were obtained by combining Swiss Target Prediction database and TCMSP database prediction targets,164 genes were obtained by intersecting disease genes and component target genes,10 key genes were screened out by Cytoscope,15 KEGG pathways were obtained by importing WeTech through David database,and 45 GO analysis entries were obtained.Autodock molecular docking technology was used to find that the four active ingredients in dill seed oil had good binding ability to key genes.This experiment reveals the key genes of tumors,and preliminarily reveals the active ingredients and potential targets of dill seed fatty acids against tumors.

关 键 词：网络药理学 莳萝子 脂肪酸 抗肿瘤 

分 类 号：R285[医药卫生—中药学]