甘肃中医药大学学报2025，Vol.42Issue(1)：45-52,8.DOI:10.16841/j.issn1003-8450.2025.01.09
基于网络药理学和分子对接技术探讨黄芪经铁死亡途径治疗结直肠癌前病变的作用机制
Exploration of the mechanism of Radix Astragali in treating precancerous lesions of colorectal cancer via ferroptosis based on network pharmacology and molecular docking techniques
摘要
Abstract
Objective To explore the action mechanism of Radix Astragali in treating precancerous lesions of colorectal cancer through the ferroptosis pathway based on network pharmacology and molecular docking techniques.Methods The main active components and targets of Radix Astragali were obtained from the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP).The main targets of precancerous lesions of colorectal cancer and ferroptosis were obtained from the online mendelian inheritance in man(OMIM)database,therapeutic target database(TTD),GeneCards and DrugBank.The common targets of Radix Astragali with ferropto-sis,colorectal cancer,and precancerous lesions of colorectal cancer were obtained from the microbioinformatics web-site.The biological processes(BP)involved in the drug-component-target and intersection targets were analyzed using the Metascape platform.The active component-target-pathway network diagram was constructed using Cyto-scape3.8.0 software,and molecular docking was performed using AutoDock to verify the binding activity of the key targets and corresponding active components.Results 13 main active components of Radix Astragali and 33 com-mon targets with ferroptosis,colorectal cancer,and precancerous lesions of colorectal cancer were screened and ob-tained.The core active components related to precancerous lesions of colorectal cancer were quercetin,kaempferol,formononetin,isorhamnetin,and 7-O-methyl isoxylitol,and the key targets were tumor protein 53(TP53),myc proto-oncogene(MYC),jun proto-oncogene(JUN),phosphatase and tensin homolog(PTEN),and hypoxia-inducible fac-tor-1α(HIF-1α).Molecular docking results showed that the main active components screened had good binding ac-tivity with the corresponding targets.Conclusion Radix Astragali may exert therapeutic effects on precancerous le-sions of colorectal cancer through the ferroptosis pathway by acting on TP53,MYC,JUN,PTEN,HIF-1α,and other related targets via quercetin,kaempferol,formononetin,isorhamnetin,and 7-O-methyl isoxylitol,and by regulating inflammation,apoptosis,autophagy,etc.关键词
结直肠癌前病变/黄芪/网络药理学/分子对接/作用机制Key words
precancerous lesions of colorectal cancer/Radix Astragali/network pharmacology/molecular doc-king/mechanism of action分类
医药卫生引用本文复制引用
王蒙,宁月,邵利华,韩静,李海龙,赵雪灵..基于网络药理学和分子对接技术探讨黄芪经铁死亡途径治疗结直肠癌前病变的作用机制[J].甘肃中医药大学学报,2025,42(1):45-52,8.基金项目
甘肃中医药大学科学研究与创新基金项目(2019KCZD-5) （2019KCZD-5）
甘肃省卫生健康行业科研计划项目(GSWSKY2022-25). （GSWSKY2022-25）
