{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,27]],"date-time":"2026-08-27T00:37:32Z","timestamp":1787791052878,"version":"build-2784847793"},"reference-count":36,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2026,1,28]],"date-time":"2026-01-28T00:00:00Z","timestamp":1769558400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Immunol."],"abstract":"<jats:sec>\n                    <jats:title>Background<\/jats:title>\n                    <jats:p>Fatty acid binding protein 5 (FABP5) is implicated in hepatocellular carcinoma (HCC) progression and represents a potential therapeutic target.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Methods<\/jats:title>\n                    <jats:p>We integrated machine learning\u2013based virtual screening, molecular docking and molecular dynamics simulations to identify natural compounds with high binding affinity to FABP5. Candidate compounds were further validated by in-vitro assays in HCC cell lines, including proliferation, migration\/invasion, apoptosis\/ferroptosis-related readouts, and mechanistic validation.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>The optimized models enabled efficient screening of natural products and prioritized \u03b3-linolenic acid (GLA) as a top candidate FABP5 inhibitor. Docking and simulations supported stable binding and key residue interactions. Experimentally, GLA inhibited HCC cell proliferation and aggressiveness and promoted cell death\u2013related pathways consistent with anti-tumor activity.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusion<\/jats:title>\n                    <jats:p>Our deep learning\u2013guided workflow identified \u03b3-linolenic acid as a natural FABP5 inhibitor and supports its potential as a lead compound for HCC therapy.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.3389\/fimmu.2026.1700347","type":"journal-article","created":{"date-parts":[[2026,1,28]],"date-time":"2026-01-28T06:44:27Z","timestamp":1769582667000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":1,"title":["Identification and validation of \u03b3-Linolenic acid as a natural FABP5 inhibitor in hepatocellular carcinoma through deep learning and experimental 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