空军军医大学学报2025，Vol.46Issue(11)：1489-1502,14.DOI:10.13276/j.issn.2097-1656.2025.11.013
基于网络药理学与分子对接技术探究肉豆蔻抗辐射诱导髓系白血病的作用机制
Exploring the mechanism of Myristica against radiation-induced myeloid leukemia based on network pharmacology and molecular docking
摘要
Abstract
Myristica is a classic traditional Chinese medicine widely used for leukemia treatment.However,its main active ingredients and underlying mechanisms of action remain poorly understood.In this study,we comprehensively investigated the mechanisms by which Myristica exerted effects on radiation-induced myeloid leukemia(RIML)using molecular docking and network pharmacology.The active ingredients in Myristica were further identified via TCMSP database,potential Myristica-related targets were extracted from GEO,GeneCards,OMIM,and DisGeNET databases,a protein-protein interaction(PPI)network was constructed to screen key targets(followed by GO and KEGG enrichment analyses),and finally the binding affinity between active compounds and key targets was verified.The screening results identified 9 active substances,including Kudos,isoguaiacin,galbacin,and others.Topological analysis of the PPI network revealed that PARP1,ESR1,MTOR,MDM2,HIF1A,and ALB were key targets.GO enrichment analysis showed that these targets were mainly involved in biological processes such as DNA repair,cell cycle regulation,apoptosis,and oxidative stress response.KEGG pathway enrichment analysis indicated that Myristica might exert anti-leukemia effects by regulating signaling pathways such as PI3K-Akt,mTOR,and HIF-1.关键词
中药/肉豆蔻/辐射诱导/髓系白血病/分子对接/网络药理学/作用机制Key words
traditional Chinese medicine/Myristica/radiation-induced/myeloid leukemia/molecular docking/network pharmacology/mechanism of action分类
中医学引用本文复制引用
卢泽星,纪楠,杨柳,王海波,邓晓军..基于网络药理学与分子对接技术探究肉豆蔻抗辐射诱导髓系白血病的作用机制[J].空军军医大学学报,2025,46(11):1489-1502,14.基金项目
National Natural Science Foundation of China(82104246) （82104246）
Postdoctoral Fellowship Program of CPSF(GZB20230996) （GZB20230996）
Natural Science Basic Research Program of Shaanxi(2025JC-YBMS-917) （2025JC-YBMS-917）
Research Foundation of Air Force Medical University(2024JC054) （2024JC054）
Xijing Innovation Research Institute Joint Fund Project(LHJJ2023-YX16) （LHJJ2023-YX16）
