College of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, China.
J Food Biochem. 2022 Dec;46(12):e14457. doi: 10.1111/jfbc.14457. Epub 2022 Oct 6.
Hawthorn (HT), a functional food and medicinal herb for centuries in China, has potential preventive and therapeutic effects on atherosclerosis (AS). However, the mechanisms and active ingredients of HT in the prevention and treatment of AS are unclear. This study aimed to reveal active components and mechanism of HT in the prevention and treatment of AS using UHPLC-Q-Exactive Orbitrap MS and network pharmacology. A total of 50 compounds were identified by UHPLC-Q-Exactive Orbitrap MS. Six core targets and six active compounds were obtained by network pharmacology. Apigenin, luteolin, chrysin, quercetin, oleanic acid, and corosolic acid were the active components in the prevention and treatment of AS, and core targets included SRC, HSP90AA1, MAPK3, EGFR, HRAS, and AKT1. The key signaling pathways involved are MAPK, HIF-1, NF-kappa B, PI3K-Akt, TNF, Rap1, Ras, and VEGF signaling pathways. Further molecular docking results indicated that the six active compounds had strong hydrogen bonding ability with the six core targets. On the molecular level, HT may regulate AS by controlling cell survival and proliferation, reducing the levels of enzymes HMG-CoA reductase and lipoprotein lipase and inhibiting inflammatory response. PRACTICAL APPLICATIONS: HT can serve as "medicine-food homology" for dietary supplement and exert potential preventive and therapeutic effects on AS. However, the mechanisms of HT in the prevention and treatment of AS are unclear. This study describes a rapid method of detecting and identifying the components and mechanism of HT based on LC-MS and network pharmacology, which provides a theoretical and scientific support for further application of HT and guidance for the research of other herbal medicines.
山楂（HT）作为一种在中国具有数百年历史的功能性食品和药用草本植物，对动脉粥样硬化（AS）具有潜在的预防和治疗作用。然而，HT 预防和治疗 AS 的机制和活性成分尚不清楚。本研究旨在采用 UHPLC-Q-Exactive Orbitrap MS 和网络药理学揭示 HT 在预防和治疗 AS 中的活性成分和机制。通过 UHPLC-Q-Exactive Orbitrap MS 鉴定出 50 种化合物。通过网络药理学获得 6 个核心靶点和 6 种活性化合物。白杨素、木樨草素、白杨黄素、槲皮素、齐墩果酸和熊果酸是预防和治疗 AS 的活性成分，核心靶点包括 SRC、HSP90AA1、MAPK3、EGFR、HRAS 和 AKT1。涉及的关键信号通路包括 MAPK、HIF-1、NF-kappa B、PI3K-Akt、TNF、Rap1、Ras 和 VEGF 信号通路。进一步的分子对接结果表明，这 6 种活性化合物与 6 个核心靶点具有很强的氢键结合能力。从分子水平上看，HT 可能通过控制细胞存活和增殖、降低 HMG-CoA 还原酶和脂蛋白脂肪酶的水平以及抑制炎症反应来调节 AS。
HT 可作为膳食补充剂的“药食同源”，对 AS 具有潜在的预防和治疗作用。然而，HT 预防和治疗 AS 的机制尚不清楚。本研究描述了一种基于 LC-MS 和网络药理学快速检测和鉴定 HT 成分和机制的方法，为 HT 的进一步应用提供了理论和科学支持，并为其他草药的研究提供了指导。
