基于网络药理学探究茶油活性成分的作用机制  

Research on the Mechanism of Active Components in Camellia Oil by Network Pharmacology

作　　者：陈玉玲 何璇 王波 周帅鹏 黄剑 叶勇[1] CHEN Yuling;HE Xuan;WANG Bo;ZHOU Shuaipeng;HUANG Jian;YE Yong(School of Chemistry and Chemical Engineering,South China University of Technology,Guangzhou 510641,China;Ganzhou Hake Biotech Co.,Ltd,Ganzhou 341008,China;Ganzhou Forestry Science Research Institute,Ganzhou 341000,China;Jiangxi Ruijia Biotech Co.,Ltd,Yichun 330899,China)

机构地区：[1]华南理工大学化学与化工学院,广东广州510641 [2]赣州哈克生物科技有限公司,江西赣州341008 [3]赣州市林业科学研究所,江西赣州341000 [4]江西睿嘉生物科技有限公司,江西宜春330899

出　　处：《广东轻工职业技术大学学报》2024年第6期1-11,共11页Journal of Guangdong Industry Polytechnic university

基　　金：江西省重点研发计划项目(20233BBF64003);长沙市科技计划项目(kh2301008);江西省林业局油茶研究专项(YCYJZX〔2023〕311)。

摘　　要：为深入揭示茶油活性成分的作用机制及开发潜力,首先通过网络药理学方法系统预测了茶油活性成分的主要靶点及相关生物通路,从20种成分中筛选出5种核心活性成分:亚麻酸、4-羟基苯甲酸、表没食子儿茶素(EGCG)、谷甾醇和茶皂素。接着,采用分子对接技术模拟这5种成分与关键靶点蛋白的相互作用,分析其结合能力,以进一步理解茶油活性成分的生物学功能。随后,在细胞实验中选用EGCG、谷甾醇和茶皂素,通过LPS诱导的RAW 264.7巨噬细胞炎症模型和油酸诱导的HepG2脂质堆积模型,检测NO、TNF-α、IL-6等炎症因子及甘油三酯(TG)、总胆固醇(TC)水平,以验证这三种成分的抗炎和降血脂效果。结果表明,EGCG在200μM时对炎症因子和脂质堆积的抑制效果最显著,其次为谷甾醇和茶皂素。分子对接结果显示,EGCG通过氢键与主要抗炎及降血脂靶蛋白MAPK1结合,茶皂素与关键靶蛋白PPARG结合,β-谷甾醇则与靶蛋白HSP90AA1结合。综上所述,这3种活性成分在抗炎、降血脂及免疫调节方面展现出显著潜力,支持其作为茶油特色功能成分进一步开发应用。To explore the mechanisms and development potential of active components in Camellia oil,this study first employed a network pharmacology approach to systematically predict the main targets and biological pathways of tea oil’s active components,screening five core components from 20 candidates:linoleic acid,4-hydroxybenzoic acid,epigallocatechin gallate(EGCG),beta-sitosterol,and tea saponin.Next,molecular docking was conducted to simulate the interactions between these five components and key target proteins,analyzing their binding affinities to further understand their biological functions.Subsequently,three of these components—EGCG,beta-sitosterol,and tea saponin—were selected for cell-based experiments.Using an LPS-induced inflammation model in RAW 264.7 macrophages and an oleic acid-induced lipid accumulation model in HepG2 cells,levels of NO,TNF-α,IL-6,triglycerides(TG),and total cholesterol(TC)were measured to verify the anti-inflammatory and lipid-lowering effects of these components.The results showed that EGCG,at 200μM,exhibited the most significant inhibition of inflammatory markers and lipid accumulation,followed by beta-sitosterol and tea saponin.Molecular docking results revealed that EGCG interacts with the primary anti-inflammatory and lipid-lowering target protein MAPK1 via hydrogen bonding,tea saponin binds with the key target protein PPARG,and beta-sitosterol associates with the target protein HSP90AA1.In conclusion,these three active components demonstrate significant potential in anti-inflammatory,lipid-lowering,and immunomodulatory applications,supporting their further development as key functional components in Camellia oil.

关 键 词：茶油 网络药理学 分子对接 抗炎 降血脂 免疫调节 

分 类 号：TS222[轻工技术与工程—粮食、油脂及植物蛋白工程]