文献类型：期刊文献

英文题名：Lipid-Lowering Potential of Almond Hulls (Quercetin, Baicalein, and Kaempferol): Insights from Network Pharmacology and Molecular Dynamics

作者：Miao, Qiming[1];Sun, Lu[1];Wu, Jiayuan[1];Zhu, Xinyue[1];Liu, Juer[2,3];Ruan, Roger[2,3];Huang, Guangwei[4];Mi, Shengquan[1];Cheng, Yanling[1]

第一作者：Miao, Qiming

通讯作者：Mi, SQ[1];Cheng, YL[1]

机构：[1]Beijing Union Univ, Biochem Engn Coll, Beijing 100101, Peoples R China;[2]Univ Minnesota, Ctr Biorefining, St Paul, MN 55108 USA;[3]Univ Minnesota, Dept Bioprod & Biosyst Engn, St Paul, MN 55108 USA;[4]Almond Board Calif, Modesto, CA 95354 USA

第一机构：北京联合大学生物化学工程学院

通讯机构：[1]corresponding author), Beijing Union Univ, Biochem Engn Coll, Beijing 100101, Peoples R China.|[1141726]北京联合大学生物化学工程学院;[11417]北京联合大学;

年份：2025

卷号：47

期号：6

外文期刊名：CURRENT ISSUES IN MOLECULAR BIOLOGY

收录：;Scopus(收录号：2-s2.0-105009055770);WOS:【SCI-EXPANDED(收录号:WOS:001515460300001)】；

基金：This study was funded by Almond Board of California, grant number BIO-22-01-RR and BIO-22-01-YC.

语种：英文

外文关键词：almond hull; extraction; mechanisms; HepG2 cells

摘要：The advancement of modern lifestyles has precipitated excessive consumption of energy-dense foods, driving the escalating global burden of lipid metabolism dysregulation-related pathologies-including obesity, type 2 diabetes mellitus (T2DM), non-alcoholic fatty liver disease (NAFLD), and cardiovascular disorders-which collectively pose a formidable challenge to global public health systems. The almond hull, as a by-product of almond processing, is rich in polyphenolic compounds with demonstrated antioxidant, anti-inflammatory, and lipid-lowering potential, though its precise hypo-lipidemic mechanisms remain elusive. In this study, polyphenols were extracted from almond hulls using 50% ethanol with ultrasound-assisted extraction, followed by preliminary purification via solvent partitioning. The ethyl acetate fraction was analyzed by liquid chromatography-mass spectrometry (LC-MS). Network pharmacology and molecular docking were employed to investigate the interactions between key bioactive constituents (e.g., quercetin, baicalein, and kaempferol) and targets in lipid metabolism-related pathways. Molecular dynamics (MD) simulations further evaluated the stability of the lowest-energy complexes. Results revealed that the ethyl acetate fraction exhibited potent pancreatic lipase inhibitory activity (IC50 = 204.2 mu g/mL). At 0.1 mg/mL after 24 h treatment, it significantly reduced free fatty acids (FFAs)-induced intracellular triglyceride accumulation (p < 0.01) and enhanced cellular antioxidant capacity. Network pharmacology and in vitro studies suggest almond hull extract modulates PI3K-AKT signaling and improves insulin resistance, demonstrating lipid-lowering effects. These findings support its potential in functional foods and pharmaceuticals, though further in vivo validation and mechanistic investigations are required.