江西科学2024，Vol.42Issue(4)：721-727,7.DOI:10.13990/j.issn1001-3679.2024.04.006
基于网络药理学及分子对接探讨姜黄素抗慢性粒细胞白血病的潜在机制
Research on Potential Mechanism of Curcumin Against Chronic Myelocytic Leukemia Based on Network Pharmacology and Bioinformatics Analysis
摘要
Abstract
The underlying mechanism of curcumin against chronic myeloid leukemia(CML)was ex-plored through network pharmacology and molecular docking.The canonical SMILES structure of curcumin was obtained from the PubChem database,and its potential target proteins were predicted using the SwissTargetPrediction platform.The DisGeNET and GeneCards databases were used to screen for CML-related targets,and intersection targets were obtain by two target sets.The interac-tion network of intersection sets was established and analyzed by The STRING platform,and the Ce-tiScaPe2.2 plugin was applied to get the potential core targets.Then functional enrichment analysis based on GO and KEGG was conducted using the DAVID database.Finally,molecular docking and visualization between curcumin and core target proteins were carried out by the Autodock software and Pymol software.A total of 43 intersected targets of curcumin for CML were screened,and STAT3,EGFR,BCL2,AKT1,PTGS2,MMP9,TNF and EP300 were regarded as the core targets.GO and KEGG analyses unraveled that the main biological functions involved were protein phospho-rylation,inflammation,apoptosis regulation,and the main signaling pathways were PI3K-Akt,HIF-1 and AK-STAT pathway.Molecular docking suggested stable binding between curcumin and core targets(PTGS2,EGFR,BCL2,MMP9,STAT3,AKT1,TNF,EP300).Curcumin's anti-cancer mechanism in CML has the characteristics of multiple targets and multiple pathways,providing a ba-sis for further pharmaceutical research and development.关键词
姜黄素/慢性粒细胞白血病/网络药理学Key words
curcumin/chronic myeloid leukemia/network pharmacology分类
医药卫生引用本文复制引用
张永鲁..基于网络药理学及分子对接探讨姜黄素抗慢性粒细胞白血病的潜在机制[J].江西科学,2024,42(4):721-727,7.基金项目
江西省卫计委科技项目(20201027) （20201027）
江西省教育厅青年项目(GJJ190124). （GJJ190124）
