黑龙江科学2024,Vol.15Issue(18) :120-123,127.

网络药理学和分子对接研究姜黄素治疗胃癌的作用机制

Study on the Network Pharmacology and Molecular Docking on the Mechanism of Curcumin in the Treatment of Gastric Cancer

唐祖丽
黑龙江科学2024,Vol.15Issue(18) :120-123,127.

网络药理学和分子对接研究姜黄素治疗胃癌的作用机制

Study on the Network Pharmacology and Molecular Docking on the Mechanism of Curcumin in the Treatment of Gastric Cancer

唐祖丽1
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作者信息

  • 1. 重庆市合川区中西医结合医院,重庆 401520
  • 折叠

摘要

通过网络药理学和分子对接技术探讨姜黄素治疗胃癌的作用机制.姜黄素靶点通过Super Pred与Swiss Target Prediction数据库进行筛选,胃癌作用靶点通过Dis GeNET、Therapeutic Target Database和Gene Cards数据库进行筛选,将姜黄素靶点与胃癌靶点取交集,上传至STRING数据库中构建PPI网络,利用Metascape数据库对核心靶点进行GO和KEGG富集分析,明确其可能的治疗机制.利用TCMSP和PDB数据库获取姜黄素的三维分子结构及核心靶点的三维晶体结构,采用分子对接技术进行对接验证.结果显示,筛选出姜黄素的作用靶点149个,胃癌作用靶点1447个,取交集得到的姜黄素治疗胃癌的核心靶点69个.经过GO及KEGG通路分析,姜黄素通过PI3K/AKT和HIF-1等信号通路对胃癌发挥治疗作用.研究结果表明,姜黄素可能通过AKT1、EGFR、STAT3、HIF1A、EP300等核心靶点以及PI3K/AKT和HIF-1等信号通路对胃癌发挥治疗作用.本研究初步探索了姜黄素治疗胃癌所涉及的相关靶点及通路,为进一步临床实验研究提供了理论依据.

Abstract

The study investigates the mechanism of curcumin in the treatment of gastric cancer with network pharmacology and molecular docking technique,and screens the curcumin targets by Super Pred and Swiss Target Prediction Database,while screens gastric cancer targets by Dis GeNET,Therapeutic Target Database and Gene Cards database.The intersection of curcumin targets and gastric cancer targets is uploaded to STRING database to build PPI network,and the core targets are enriched by GO and KEGG with Metascape database to clarify their possible therapeutic mechanisms.The study obtains the three-dimensional molecular structure of curcumin and the three-dimensional crystal structure of the core target with TCMSP and PDB databases,and verifies the docking with molecular docking technology.The results show that 149 targets of curcumin and 1 447 targets of gastric cancer are screened out,and 69 core targets of curcumin in the treatment of gastric cancer are obtained by intersection.According to GO and KEGG pathway analysis,curcumin plays a therapeutic role in gastric cancer through PI3K/AKT and HIF-1 signaling pathways.The results show that curcumin may play a therapeutic role in gastric cancer through core targets,such as AKT1,EGFR,STAT3,HIF1A,EP300,and signaling pathways such as PI3K/AKT and HIF-1.The study preliminarily explores the relevant targets and pathways involved in curcumin treatment of gastric cancer,providing a theoretical basis for further clinical experimental research.

关键词

姜黄素/胃癌/网络药理学/分子对接技术

Key words

Curcumin/Gastric cancer/Network pharmacology/Molecular docking technique

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出版年

2024
黑龙江科学
黑龙江省科学院

黑龙江科学

影响因子:1.014
ISSN:1674-8646
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