{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,26]],"date-time":"2026-01-26T00:05:11Z","timestamp":1769385911449,"version":"3.49.0"},"reference-count":58,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2025,6,12]],"date-time":"2025-06-12T00:00:00Z","timestamp":1749686400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Almond Board of California","award":["BIO-22-01-RR"],"award-info":[{"award-number":["BIO-22-01-RR"]}]},{"name":"Almond Board of California","award":["BIO-22-01-YC"],"award-info":[{"award-number":["BIO-22-01-YC"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["CIMB"],"abstract":"<jats:p>The advancement of modern lifestyles has precipitated excessive consumption of energy-dense foods, driving the escalating global burden of lipid metabolism dysregulation-related pathologies\u2014including obesity, type 2 diabetes mellitus (T2DM), non-alcoholic fatty liver disease (NAFLD), and cardiovascular disorders\u2014which 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\u2013mass 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 \u00b5g\/mL). At 0.1 mg\/mL after 24 h treatment, it significantly reduced free fatty acids (FFAs)-induced intracellular triglyceride accumulation (p &lt; 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.<\/jats:p>","DOI":"10.3390\/cimb47060450","type":"journal-article","created":{"date-parts":[[2025,6,12]],"date-time":"2025-06-12T03:59:17Z","timestamp":1749700757000},"page":"450","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Lipid-Lowering Potential of Almond Hulls (Quercetin, Baicalein, and Kaempferol): Insights from Network Pharmacology and Molecular Dynamics"],"prefix":"10.3390","volume":"47","author":[{"given":"Qiming","family":"Miao","sequence":"first","affiliation":[{"name":"Biochemical Engineering College, Beijing Union University, Beijing 100101, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lu","family":"Sun","sequence":"additional","affiliation":[{"name":"Biochemical Engineering College, Beijing Union University, Beijing 100101, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jiayuan","family":"Wu","sequence":"additional","affiliation":[{"name":"Biochemical Engineering College, Beijing Union University, Beijing 100101, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xinyue","family":"Zhu","sequence":"additional","affiliation":[{"name":"Biochemical Engineering College, Beijing Union University, Beijing 100101, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1943-7432","authenticated-orcid":false,"given":"Juer","family":"Liu","sequence":"additional","affiliation":[{"name":"Center for Biorefining & Department of Bioproducts and Biosystems Engineering, University of Minnesota, St. Paul, MN 55108, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8835-2649","authenticated-orcid":false,"given":"Roger","family":"Ruan","sequence":"additional","affiliation":[{"name":"Center for Biorefining & Department of Bioproducts and Biosystems Engineering, University of Minnesota, St. Paul, MN 55108, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-4837-2387","authenticated-orcid":false,"given":"Guangwei","family":"Huang","sequence":"additional","affiliation":[{"name":"Almond Board of California, Modesto, CA 95354, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3470-5458","authenticated-orcid":false,"given":"Shengquan","family":"Mi","sequence":"additional","affiliation":[{"name":"Biochemical Engineering College, Beijing Union University, Beijing 100101, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yanling","family":"Cheng","sequence":"additional","affiliation":[{"name":"Biochemical Engineering College, Beijing Union University, Beijing 100101, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2025,6,12]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Xu, L., Yang, Q., and Zhou, J. 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