首页|基于网络药理学和分子对接探讨姜黄、郁金药对治疗肝癌的作用机制

基于网络药理学和分子对接探讨姜黄、郁金药对治疗肝癌的作用机制

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目的:基于网络药理学和分子对接方法探讨姜黄、郁金药对治疗肝癌的潜在靶点和作用机制。方法:通过公共数据库筛选姜黄、郁金药对的活性成分和作用靶点及肝癌的靶点,绘制药物活性成分的分子靶点和疾病靶点的交集,构建药对-疾病-有效成分-靶点的中药复方调控网络图及蛋白-蛋白互作网络图,进行GO富集分析和KEGG信号通路富集分析,通过分子对接对有效成分和关键靶点进行验证。基于TIMER数据库分析关键靶点与免疫细胞浸润的关系,通过GEPIA数据库分析关键靶点在肿瘤组织中的表达情况及对患者临床预后的影响。结果:最终筛选出姜黄、郁金药对有效成分6个,共同靶点70个,核心靶点柚皮素与MAPK3、CASP3、AKT1、CAT、ESR1和PTGS2有较强的亲和力。作用机制涉及多条通路,核心靶点与多个免疫细胞浸润丰度相关,其中MAPK3在肿瘤组织中的表达高于癌旁组织,ESR1则相反。生存曲线分析中MAPK3表达水平高者,预后相对较差;ESR1表达水平高者,预后相对较好。MAPK3为癌基因,ESR1为抑癌基因,对肝癌的临床预后具有潜在价值。结论:姜黄、郁金药对可通过诱导肿瘤细胞凋亡、抑制肿瘤血管生成、调节信号通路减少肿瘤免疫逃逸等过程发挥多成分、多靶点、多途径协同抗肿瘤作用,为进一步药理研究提供了新思路和线索。
Discussion on the Mechanism of Jianghuang(Curcumae Longae Rhizoma)and Yujin(Curcumae Radix)Medicine Pair in Treatment of Liver Cancer Based on Network Pharmacology and Molecular Docking
Objective:To explore the potential targets and mechanisms of action of Jianghuang(Curcumae Longae Rhizoma)and Yujin(Curcumae Radix)medicine pair in the treatment of liver cancer based on network pharmacology and molecular docking methods.Methods:Through the public database,the active ingredients and targets of Jianghuang(Curcumae Longae Rhizoma)and Yujin(Curcumae Radix)and the targets of liver cancer were screened,the intersection of molecular targets and disease targets of active ingredients of drugs was drawn,the traditional Chinese medicine compound regulatory network diagram of drug pair-disease-active ingredient-target was constructed,and the protein-protein interaction network diagram was constructed.GO enrichment analysis and KEGG signaling pathway enrichment analysis were performed,and the active ingredients and key targets were verified through molecular docking.Based on the TIMER database,the relationship between key targets and immune cell infiltration was analyzed,and the expression of key targets in tumor tissues and the impact on the clinical prognosis of patients were analyzed through GEPIA database.Results:6 effective ingredients and 70 common targets of Jianghuang(Curcumae Longae Rhizoma)and Yujin(Curcumae Radix)were ultimately screened.The core target naringenin has strong affinity with MAPK3,CASP3,AKT1,CAT,ESR1,and PTGS2.The mechanism of action involved multiple pathways.The core targets were associated with multiple immune cells.The expression of MAPK3 in tumor tissues was higher than that in normal tissues,while the ESR1 was the opposite.In survival curve analysis,those with high MAPK3 expression levels had a relatively poor prognosis,and those with high ESR1 expression levels had a relatively better prognosis.It suggests that MAPK3 is an oncogene and ESR1 is a tumor suppressor gene,which has potential value for the clinical prognosis of liver cancer.Conclusion:Jianghuang(Curcumae Longae Rhizoma)and Yujin(Curcumae Radix)medicine pair can exert a synergistic anti-tumor effect with multiple components,multiple targets and multiple pathways by inducing tumor cell apoptosis,inhibiting tumor angiogenesis,and regulating signaling pathways to reduce tumor immune escape.This provides new ideas and clues for further pharmacological research.

liver cancerJianghuang(Curcumae Longae Rhizoma)Yujin(Curcumae Radix)network phar-macologymolecular docking

唐芳婷、王红、张靓、唐萍、李跃军

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湖南中医药大学,湖南 长沙 410208

湖南中医药大学附属省直中医医院,湖南 株洲 412000

肝癌 姜黄 郁金 网络药理学 分子对接

国家自然科学基金项目湖南省自然科学基金项目

817039162018JJ6042

2024

中医药导报
湖南省中医药学会 湖南省中医管理局

中医药导报

CSTPCD
影响因子:0.952
ISSN:1672-951X
年,卷(期):2024.30(3)
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