白花树枝叶化学成分及其抗动脉粥样硬化网络药理学研究OA
Chemical constituents from the branches and leaves of Styrax tonkinensis and network pharmacology study on their anti-atherosclerotic effects
研究白花树Styrax tonkinensis(Pierre)Craib ex Hart.枝叶的化学成分及抗动脉粥样硬化作用机制.采用MCI、硅胶、ODS、Sephadex LH-20柱色谱及半制备高效液相等色谱分离技术对白花树枝叶乙酸乙酯萃取部位进行分离纯化,通过现代理化性质与核磁共振波谱数据并结合参考文献鉴定化合物的结构,最后利用网络药理学及分子对接的方法对分离得到的化合物的抗动脉粥样硬化作用机制进行了研究.从该白花树枝叶提取物的乙酸乙酯萃取部位中共分离鉴定 9 个化合物,分别是 5α,6α-epoxy-3β-hydroxymegastigm-7-en-9-one(1)、3-hydroxy-β-ionone(2)、表松脂醇(3)、9-methoxypinoresinol(4)、puviatilol(5)、(-)-eudesmin(6)、methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propano-ate(7)、4-[[(3R,4R)-4-[(3,4-dimethoxybenzyl)methyl]tetrahydro-3-furanyl]methyl]-2-methoxy phenol(8)、山柰酚(9).其中,化合物1、2、4～9为首次从该属植物分离得到.网络药理学结果显示9个化合物主要作用于前列腺素内过氧化物合成酶 2(prostaglandin-endoperoxide synthase 2,PTGS2)、白蛋白(albumin,ALB)、磷脂酰肌醇-4,5-二磷酸3-激酶催化亚基 α(phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha,PIK3CA)等多个靶点,KEGG 通路富集分析得到关键通路为磷脂酰肌醇3-激酶(phosphatidylinositol 3-kinase,PI3K)/蛋白激酶B(protein kinase B,AKT)信号通路和 Janus 激酶(Janus kinase,JAK)/信号转导与转录激活因子(signal transducer and activator of transcrip-tion,STAT)信号通路等.分子对接结果显示所有化合物与关键核心靶点蛋白均能连接且具有良好的结合能,其中与PTGS2的结合活性最强.该研究首次对白花树枝叶化学成分进行了系统性研究,为进一步研究与开发利用白花树提供了一定的科学依据.
This study investigated the chemical constituents of Styrax tonkinensis(Pierre)Craib ex Hart.branches and leaves and their anti-atherosclerotic mechanism.The ethyl acetate extract of S.tonkinensis was isolated and purified using MCI,silica gel,ODS,Sephadex LH-20 column chromatography,and semi-preparative HPLC.Compound structures were identified through physicochemical properties,NMR spectroscopy,and literature comparison.Network pharmacology and molecular docking were employed to explore anti-atherosclerotic mechanisms.Nine compounds were isolated:5α,6α-epoxy-3β-hydroxymegastigm-7-en-9-one(1),3-hydroxy-β-ionone(2),E epipinoresinol(3),9-methoxypinoresinol(4),puviatilol(5),(-)-eudesmin(6),methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate(7),4-[[(3R,4R)-4-[(3,4-dimethoxybenzyl)methyl]tetra-hydro-3-furanyl]methyl]-2-methoxy phenol(8),kaempferol(9).Among them,compounds 1,2,and 4-9 were isolated from the genus Styrax for the first time.Network pharmacology results revealed that the nine compounds primarily target multiple proteins including prostaglandin-endoperoxide synthase 2(PTGS2),albumin(ALB),and phosphatidylinositol-4,5-bisphos-phate 3-kinase catalytic subunit alpha(PIK3CA).KEGG pathway enrichment analysis identified key signaling pathways such as the phosphatidylinositol 3-kinase(PI3K)/protein kinase B(AKT)and Janus kinase(JAK)/signal transducer and activa-tor of transcription(STAT)pathways.This work provides the first systematic chemical analysis of S.tonkinensis branches and leaves,offering a foundation for further research.
郭众天;时若兰;谢琳;罗琼;谭婉菁;朱立彬;王峰
广东药科大学中药学院广东药科大学中药学院广东药科大学中药学院广东药科大学中药学院广东药科大学中药学院健民药业集团股份有限公司,武汉 430052广东药科大学中药学院||国家中医药管理局中药数字化质量评价技术重点研究室,广州 510006
医药卫生
白花树枝叶化学成分动脉粥样硬化网络药理学分子对接
branches and leaves of Styrax tonkinensischemical constituentsatherosclerosisnetwork pharmacologymolecular docking
《天然产物研究与开发》 2026 (8)
1713-1721,9
广东省普通高校生物医药与健康重点领域专项(2022ZDZX2035)
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