鳖甲活性肽抗肝癌作用网络药理学探讨及体外活性验证OA
Network Pharmacological Investigation and In Vitro Activity Validation of the Anti-Hepatocellular Carcinoma Effect of the Active Peptides from Hydrolysates of Turtle Shell Protein
目的 通过网络药理学、分子对接以及体外活性实验验证鳖甲活性肽抗肝癌的作用机制.方法 收集从鳖甲蛋白水解物(HTSP)中得到的2 种鳖甲活性肽(HTSP-9、HTSP-11),并通过SuperPred和SwissTargetPrediction网站预测2 种活性肽作用靶点,利用GeneCards、Disgenet、OMIM数据库筛选肝癌相关靶点,得到两者交集靶点;对交集靶点进行基因本体功能和京都基因与基因组百科全书(KEGG)通路富集分析;利用Cytoscape软件绘制"HTSP-肝细胞癌(HCC)-交集靶点"蛋白相互作用网络,并筛选核心靶点;运用AutoDock软件进行HTSP与核心靶点分子对接;通过体外细胞实验验证网络药理学结果.结果 分析得到HTSP与HCC核心靶点37 个,KEGG富集分析涉及磷脂酰肌醇3 激酶(PI3K-Akt)、肿瘤坏死因子(TNF)、细胞凋亡(Apoptosis)等信号通路.体外实验结果表明HTSP能够抑制肝癌细胞HepG2 增殖.结论 HTSP可能通过多靶点、多通路调控肝癌细胞HepG2 生长和分化,实现对HCC的治疗作用.
Objective Anti-hepatocellular carcinoma mechanism of active peptides derived from hydrolyzates of turtle shell protein(HTSP)was elucidated by employing network pharmacology,molecular docking,and in vitro assays.Methods The study collected two active peptides from the hydrolysates of turtle shell protein(HTSP),namely HTSP-9 and HTSP-11,which were previously identified by our research group.The potential targets of these active peptides were predicted using the SuperPred and Swiss Target Prediction websites.Subsequently,the HCC-related targets were screened through databases including Gene-Cards,DisGeNET,and OMIM to identify the overlapping targets between the two peptides.Subsequently,Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were conducted on the overlapping targets.Cy-toscape software was used to construct the HTSP-HCC-Overlapping Targets protein-protein interaction network(PPI)and screen core targets.Molecular docking experiments were performed on the HTSP and the core targets of action using AutoDock software,and finally,the network pharmacology findings were corroborated by in vitro cellular assays.Results The analysis yielded 37 core targets shared by the HTSP and HCC.The KEGG enrichment analysis involves signaling pathways such as PI3K-Akt,TNF,and apoptosis.In vitro experiments demonstrated that the HTSP could inhibit the proliferation of HepG2 cell.Conclusion The HTSPs are likely to exert therapeutic effects against HCC by modulating the growth and differentiation of hepatocellular carcinoma HepG2 cells through a multi-target and multi-pathway approach.
黄雅宁;尤朋涛;胡俊杰;苟君波;田娟;张剑锋;胡春玲
湖北中医药大学药学院,湖北省时珍实验室,中药资源与中药化学湖北省重点实验室,武汉 430065湖北中医药大学药学院,湖北省时珍实验室,中药资源与中药化学湖北省重点实验室,武汉 430065湖北中医药大学药学院,湖北省时珍实验室,中药资源与中药化学湖北省重点实验室,武汉 430065湖北中医药大学药学院,湖北省时珍实验室,中药资源与中药化学湖北省重点实验室,武汉 430065||湖北江夏实验室,武汉 430000荆楚理工学院药物合成与优化省级重点实验室,荆门 448000宣城市食品药品检验中心,宣城 242000湖北中医药大学药学院,湖北省时珍实验室,中药资源与中药化学湖北省重点实验室,武汉 430065
医药卫生
鳖甲活性肽肝细胞癌网络药理学分子对接
Hydrolysates of turtle shell proteinHepatocellular carcinomaNetwork pharmacologyMolecular docking
《医药导报》 2026 (3)
383-389,7
湖北省药品监督检验研究院重点实验室开放课题项目(2023HBKFZ002)湖北中医药大学重大科技攻关项目(2023ZDXM007)中药资源与中药化学湖北省重点实验室开放基金(KLRCCM2405)荆楚理工学院药物合成与优化湖北省重点实验室(YB202302).
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