猫爪草治疗结直肠癌的网络药理学分析和分子对接预测  

Mechanism of Ranunculus ternatus Thunbin the treatment of colorectal cancer based on network pharmacology and molecular docking

作　　者：张春云 李泽彦 冯丽学 殷慧琪 张琳 王艺涵 姜皓怡 田雨菲 杨清竹 ZHANG Chunyun;LI Zeyan;FENG Lixue;YIN Huiqi;ZHAGN Lin;WANG Yihan;JIANG Haoyi;TIAN Yufei;YANG Qingzhu(School of Life Sciences,Agriculture and Forestry,Qiqihar University,Qiqihar 161006,China;Heilongjiang Provincial Key Laboratory of Resistance Gene Engineering and Protection of Biodiversity in Cold Areas,Qiqihar University,Qiqihar 161006,China)

机构地区：[1]齐齐哈尔大学生命科学与农林学院,黑龙江齐齐哈尔161006 [2]齐齐哈尔大学抗性基因工程与寒地多样性保护黑龙江省重点实验室,黑龙江齐齐哈尔161006

出　　处：《高师理科学刊》2025年第2期50-56,62,共8页Journal of Science of Teachers'College and University

基　　金：黑龙江省省属高等学校基本科研业务费科研项目(145409209);2023年齐齐哈尔大学研究生创新科研项目(QUZLTS_CX2023010);黑龙江省大学生创新创业训练计划资助项目(X202410232120)。

摘　　要：以网络药理学和分子对接技术探讨猫爪草治疗结直肠癌的作用机制.通过TCMSP数据库检索筛选出符合条件的猫爪草的主要活性成分,并用Swiss TargetPrediction数据库预测其潜在靶点.利用DisGeNET和GeneCards数据库搜索筛选符合条件“colorectal cancer”的靶点,利用Venn2.1.0取交集.使用Cytoscape_v3.10.1绘制“活性成分-结直肠癌”网络图.通过STRING数据库构建PPI网络,导入Cytoscape_v3.10.1进行分析并筛选出关键靶点.运用微生信平台对关键靶点进行GO功能和KEGG通路富集分析,使用GEPIA数据库分析关键靶点在癌组织中和癌旁组织表达的差异.使用分子对接技术预测猫爪草中的核心活性成分和关键靶点能否结合.结果表明,猫爪草治疗结直肠癌的有效成分有9种;共同作用靶点有54个;PPI网络构建分析显示,SRC,EGFR,HIF1A等15个靶点为关键靶点,并且其涉及的信号通路主要在癌症途径、癌症中的蛋白聚糖、EGFR酪氨酸激酶抑制剂耐药性、PI3K-Akt信号通路等.GEPIA分析发现,BCL2L1,GSK3B,MMP9在结直肠癌的组织中相对于癌旁组织呈现出高表达;分子对接显示核心成分Truflex OBP,CLR,7-O-Methyleriodictyol与BCL2L1,GSK3B,MMP9蛋白均具有良好的亲和力.猫爪草可以通过多个靶点和途径治疗结直肠癌,为结直肠癌的治疗提供了新契机.Investigated the mechanism of action of Ranunculus ternatus Thunb in the treatment of colorectal cancer by network pharmacology and molecular docking techniques.The TCMSP database was searched to identify the main active ingredients of Ranunculus ternatus Thunb and the Swiss Target Prediction database was used to predict the potential targets of Ranunculus ternatus Thunb.The DisGeNET and Gene Cards databases were used to search and screen the targets matching the condition“colorectal cancer”,and the intersections were obtained using Venn 2.1.0.Cytoscape 3.10.1 software was used to map the“active ingredient-colorectal cancer”network.The PPI network was constructed by STRING database and imported into Cytoscape 3.10.1 software for analysis and screening of key targets.The key targets were enriched by GO function and KEGG pathway using the microbiology platform,and the differences in the expression of the key targets in cancer and paraneoplastic tissues were analysed using the GEPIA database.Molecular docking technique was used to predict whether the core active ingredients and key targets in Ranunculus ternatus Thunb could bind.The results showed that there were 9 active ingredients in Ranunculus ternatus Thunb for the treatment of colorectal cancer;there were 54 co-interacting targets;and the PPI network construction analysis showed that 15 targets,including SRC,EGFR,and HIF1A,were key targets,and that they were involved in signaling pathways mainly in the cancer pathway,proteoglycans in cancer,resistance to EGFR tyrosine kinase inhibitors,and the PI3K-Akt signaling pathway.GEPIA analysis revealed that BCL2L1,GSK3B,and MMP9 showed high expression in colorectal cancer tissues relative to paraneoplastic tissues;molecular docking showed that the core components,Truflex OBP,CLR,and 7-O-Methyleriodictyol,had good affinity for BCL2L1,GSK3B,and MMP9 proteins.Ranunculus ternatus Thunb can treat colorectal cancer through multiple targets and pathways,which provides a new opportunity for the treatment of colorectal

关 键 词：猫爪草 结直肠癌 网络药理学 分子对接 

分 类 号：Q28[生物学—细胞生物学]