{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,15]],"date-time":"2026-07-15T12:00:22Z","timestamp":1784116822432,"version":"3.55.0"},"reference-count":59,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2025,8,4]],"date-time":"2025-08-04T00:00:00Z","timestamp":1754265600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["CIMB"],"abstract":"<jats:p>Ulcerative colitis (UC) is a chronic inflammatory bowel disease associated with disrupted lipid metabolism. This study aimed to uncover novel molecular subtypes and biomarkers by integrating sphingolipid metabolism-related genes (SMGs) with machine learning approaches. Using data from the GEO and GeneCards databases, 29 UC-related SMGs were identified. Consensus clustering was employed to define distinct molecular subtypes of UC, and a diagnostic model was developed through various machine learning algorithms. Further analyses\u2014including functional enrichment, transcription factor prediction, single-cell localization, potential drug screening, molecular docking, and molecular dynamics simulations\u2014were conducted to investigate the underlying mechanisms and therapeutic prospects of the identified genes in UC. The analysis revealed two molecular subtypes of UC: C1 (metabolically dysregulated) and C2 (immune-enriched). A diagnostic model based on three key genes demonstrated high accuracy in both the training and validation cohorts. Moreover, the transcription factor FOXA2 was predicted to regulate the expression of all three genes simultaneously. Notably, mebendazole and NVP-TAE226 emerged as promising therapeutic agents for UC. In conclusion, SMGs are integral to UC molecular subtyping and immune microenvironment modulation, presenting a novel framework for precision diagnosis and targeted treatment of UC.<\/jats:p>","DOI":"10.3390\/cimb47080616","type":"journal-article","created":{"date-parts":[[2025,8,5]],"date-time":"2025-08-05T08:46:55Z","timestamp":1754383615000},"page":"616","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Molecular Subtypes and Biomarkers of Ulcerative Colitis Revealed by Sphingolipid Metabolism-Related Genes: Insights from Machine Learning and Molecular Dynamics"],"prefix":"10.3390","volume":"47","author":[{"given":"Quanwei","family":"Li","sequence":"first","affiliation":[{"name":"Department of General Surgery, The First Affiliated Hospital of Dalian Medical University, Dalian 116000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Junchen","family":"Li","sequence":"additional","affiliation":[{"name":"Department of General Surgery, The First Affiliated Hospital of Dalian Medical University, Dalian 116000, China"},{"name":"Institute of Integrative Medicine, Dalian Medical University, Dalian 116000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuyuan","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of General Surgery, The First Affiliated Hospital of Dalian Medical University, Dalian 116000, China"},{"name":"Institute of Integrative Medicine, Dalian Medical University, Dalian 116000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yunshu","family":"Zhang","sequence":"additional","affiliation":[{"name":"Department of General Surgery, The First Affiliated Hospital of Dalian Medical University, Dalian 116000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jifeng","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of General Surgery, The First Affiliated Hospital of Dalian Medical University, Dalian 116000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xing","family":"Wan","sequence":"additional","affiliation":[{"name":"Department of General Surgery, The First Affiliated Hospital of Dalian Medical University, Dalian 116000, China"},{"name":"Institute of Integrative Medicine, Dalian Medical University, Dalian 116000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Guogang","family":"Liang","sequence":"additional","affiliation":[{"name":"Department of General Surgery, The First Affiliated Hospital of Dalian Medical University, Dalian 116000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,8,4]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1396","DOI":"10.1053\/j.gastro.2022.01.023","article-title":"What Does Disease Progression Look Like in Ulcerative Colitis, and How Might It Be Prevented?","volume":"162","author":"Torres","year":"2022","journal-title":"Gastroenterology"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"111865","DOI":"10.1016\/j.intimp.2024.111865","article-title":"Integration of transcriptomics and metabolomics identify biomarkers of aberrant lipid metabolism in ulcerative colitis","volume":"131","author":"Ding","year":"2024","journal-title":"Int. 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