{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T21:25:50Z","timestamp":1790371550731,"version":"4.1.0"},"reference-count":79,"publisher":"Ovid Technologies (Wolters Kluwer Health)","issue":"3","license":[{"start":{"date-parts":[[2025,5,1]],"date-time":"2025-05-01T00:00:00Z","timestamp":1746057600000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-sa\/4.0"}],"content-domain":{"domain":["lww.com","ovid.com"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2025,5]]},"abstract":"<jats:sec>\n                    <jats:title>Background and purpose:<\/jats:title>\n                    <jats:p>The Fat mass and obesity-associated protein (FTO) plays a significant role in esophageal cancer by regulating N6-methyladenosine (m6A) modification. FTO inhibition has shown potential in cancer therapies but remains underexplored. This study aimed to identify a safer, FDA-approved compound for FTO inhibition that can be used in combination with chemotherapy drugs.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Experimental approach:<\/jats:title>\n                    <jats:p>FDA-approved drugs were screened from the Zinc 15 database using AutoDock Vina against the 3D structure of FTO (PDB ID: 3LFM). Discovery Studio software was used to determine binding interactions. The GROMACS package was used for molecular dynamics simulations. A non-toxic concentration was determined through an MTT assay on KYSE-30 esophageal cancer cells. The ELISA assay was used to measure the m6A levels in RNA.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Findings\/Results:<\/jats:title>\n                    <jats:p>Four compounds, ergotamine, midazolam, digoxin, and loratadine, were identified. Loratadine (\u0394G: -8.9) formed stable interactions with FTO, specifically with residues Ser229, Tyr109, Leu109, Val229, and His231. Molecular dynamic simulations of the FTO-loratadine complex revealed higher RMSD fluctuations (0.4-0.6 nm), but the system remained stable overall. RMSF analysis showed similar fluctuation patterns in all three systems, indicating that loratadine did not affect protein structure stability. MM\/PBSA calculations revealed powerful binding energy for the FTO-loratadine complex (-135.73 kJ\/mol), driven by favorable van der Waals interactions. KYSE-30 cells treated with loratadine (100 \u03bcM), m6A levels in KYSE- 30 cells compared to the control group were significantly elevated at a non-toxic concentration.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusion and implications:<\/jats:title>\n                    <jats:p>Loratadine is a promising, low-toxic FTO inhibitor that could complement chemotherapy for esophageal cancer.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.4103\/rps.rps_9_25","type":"journal-article","created":{"date-parts":[[2025,6,17]],"date-time":"2025-06-17T22:00:22Z","timestamp":1750197622000},"page":"392-407","update-policy":"https:\/\/doi.org\/10.1097\/lww.0000000000001000","source":"Crossref","is-referenced-by-count":1,"title":["Repurposing FDA-approved drugs to find a novel inhibitor of alpha-ketoglutarate-dependent dioxygenase FTO to treat esophageal cancer"],"prefix":"10.4103","volume":"20","author":[{"given":"Zeinab","family":"Mohammadi","sequence":"first","affiliation":[{"name":"Metabolic Disorders Research Center, Biomedical Research Institute, Golestan University of Medical Sciences, Gorgan, Iran"},{"name":"Department of Clinical Biochemistry, School of Medicine, Golestan University of Medical Sciences, Gorgan, Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marie Saghaeian","family":"Jazi","sequence":"additional","affiliation":[{"name":"Metabolic Disorders Research Center, Biomedical Research Institute, Golestan University of Medical Sciences, Gorgan, Iran"},{"name":"Stem Cell Research Center, Golestan University of Medical Sciences, Gorgan, Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Seyyed Mehdi","family":"Jafari","sequence":"additional","affiliation":[{"name":"Metabolic Disorders Research Center, Biomedical Research Institute, Golestan University of Medical Sciences, Gorgan, Iran"},{"name":"Department of Clinical Biochemistry, School of Medicine, Golestan University of Medical Sciences, Gorgan, Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Seyyed Mostafa","family":"Mir","sequence":"additional","affiliation":[{"name":"Metabolic Disorders Research Center, Biomedical Research Institute, Golestan University of Medical Sciences, Gorgan, Iran"},{"name":"Department of Clinical Biochemistry, School of Medicine, Golestan University of Medical Sciences, Gorgan, Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jahanbakhsh","family":"Asadi","sequence":"additional","affiliation":[{"name":"Metabolic Disorders Research Center, Biomedical Research Institute, Golestan University of Medical Sciences, Gorgan, Iran"},{"name":"Department of Clinical Biochemistry, School of Medicine, Golestan University of Medical Sciences, Gorgan, 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