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基于UPLC-Q-TOF-MS的茅苍术入血成分及其抗溃疡的网络药理学机制研究 被引量:1

Study on blood components of Atractylodes lancea and its anti-ulcer network pharmacological mechanism based on UPLC-Q-TOF-MS
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摘要 目的阐明茅苍术的入血成分及其抗胃溃疡的作用机制。方法首先,根据超高液相色谱与四级杆飞行时间质谱联用(UPLC-Q-TOF-MS)分析了大鼠体内茅苍术主要的入血性成分,其次,利用网络药理学方法进一步分析大鼠入血成分抗胃溃疡的作用机制。结果共鉴定出茅苍术中9个原型入血成分,分别是汉黄芩苷、苍术酮、白术内酯Ⅰ、白术内酯Ⅱ、白术内酯Ⅲ、β-桉叶醇、苍术素、棕榈酸、酪氨酸。全体成分共有66个靶点,疾病靶点1203个,茅苍术成分-胃溃疡交集靶点共20个,包括肿瘤坏死因子(TNF)、白细胞介素-6(IL-6)、血管内皮生长因子A(VEGFA)、内皮型一氧化氮合酶(NOS3)、白细胞介素-10(IL-10)等;GO和KEGG富集分析提示交集靶点主要参与AGE-RAGE、P13K-Akt等信号通路;分子对接显示苍术酮、白术内酯Ⅰ、苍术素与肿瘤坏死因子、白细胞介素-6、血管内皮生长因子A、内皮型一氧化氮合酶、白细胞介素-10有较强的结合能力。结论茅苍术中共有9个入血成分,其中苍术酮、白术内酯Ⅰ、苍术素可能通过作用于肿瘤坏死因子、白细胞介素-6等靶点基因进而对P13K-Akt等信号通路产生调控作用,最终发挥治疗胃溃疡的作用。 Objective To clarify the blood components of Atractylodes lancea and its mechanism of action on the treatment of gastric ulcer.Methods Analyze the blood components of Atractylodes lancea by UPLC-Q-TOF-MS;Using network pharmacology methods to further analyze the mechanism of action of the blood components of rats in the treatment of gastric ulcer.Results A total of 9 blood components of wogonin,atractylone,atractylenolideⅠ,atractylenolideⅡ,atractylenolideⅢ,β-cineole,atractylodin,palmitic acid,and tyrosine were identified.There are a total of 66 targets for each component,1203 disease targets,and a total of 20 atractylodes component-gastric ulcer intersection targets,including TNF,IL-6,VEGFA,NOS3,IL-10,etc.;The enrichment analysis of GO and KEGG suggests that the intersection target was mainly involved in AGE-RAGE,P13K-Akt and other signaling pathways;Molecular docking showed that atractylone,atractylenolideⅠ,atractylodes have strong binding ability with TNF,IL-6,VEGFA,NOS3,IL-10.Conclusion Atractylone,atractylenolideⅠ,and atractylodes in Atractylodes lancea may act on target genes such as TNF and IL-6 to regulate P13K-Akt and other signaling pathways,and ultimately play a role in the treatment of gastric ulcers.
作者 于丹 张慧 YU Dan;ZHANG Hui(College of Pharmacy,Liaoning University of Traditional Chinese Medicine,Dalian 116600,China)
出处 《药学研究》 CAS 2021年第12期775-780,共6页 Journal of Pharmaceutical Research
关键词 茅苍术 超高效液相色谱与四级杆飞行时间质谱联用 入血成分 网络药理学 胃溃疡机制 Atractylodes lancea UPLC-Q-TOF-MS Blood component Network pharmacology Mechanism
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