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Structure-based virtual screening, in vitro and in silico analysis identified novel potent m6A demethylase FTO inhibitors as promising neurotherapeutic agents.

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Title: Structure-based virtual screening, in vitro and in silico analysis identified novel potent m6A demethylase FTO inhibitors as promising neurotherapeutic agents.
Authors: Irisarri A; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain., Bellver-Sanchis A; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain., Choudhary BS; Department of Pharmacy, Central University of Rajasthan, Bandarsindari, Ajmer, India., Mallo-Abreu A; Laboratory of Medicinal Chemistry, Faculty of Pharmacy and Food Sciences, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Biomedicine (IBUB), University of Barcelona, Av. Diagonal 643, Barcelona, Spain., Labrador L; Department of Pharmacology and Therapeutics, Health Science Center-University of Florida, Gainesville, FL, USA., Casadesus G; Department of Pharmacology and Therapeutics, Health Science Center-University of Florida, Gainesville, FL, USA., Pérez B; Department of Pharmacology, Therapeutic and Toxicology, Universitat Autònoma de Barcelona, Barcelona, Spain., Jana A; Department of Chemistry, National Institute of Technology Durgapur, Durgapur, India., Banerjee DR; Department of Chemistry, National Institute of Technology Durgapur, Durgapur, India., Iriepa I; Universidad de Alcalá, Departamento de Química Orgánica y Química Inorgánica, Instituto de Investigación Química 'Andrés M. del Río' (IQAR), Alcalá de Henares, Madrid, 28805, Spain; Grupo DISCOBAC, Instituto de Investigación Sanitaria de Castilla-La Mancha (IDISCAM), Alcalá de Henares, Madrid, 28805, Spain., Isabel Loza M; Innopharma Drug Screening and Pharmacogenomics Platform, Center for Research in Molecular Medicine and Chronic Diseases (CiMUS), Department of Pharmacology, Pharmacy and Pharmaceutical Technology, University of Santiago de Compostela, Santiago de Compostela, Spain; Health Research Institute of Santiago de Compostela (IDIS), University Hospital of Santiago de Compostela (SERGAS), Trav. Choupana s/n, Santiago de Compostela, 15706, Spain., Brea J; Innopharma Drug Screening and Pharmacogenomics Platform, Center for Research in Molecular Medicine and Chronic Diseases (CiMUS), Department of Pharmacology, Pharmacy and Pharmaceutical Technology, University of Santiago de Compostela, Santiago de Compostela, Spain; Health Research Institute of Santiago de Compostela (IDIS), University Hospital of Santiago de Compostela (SERGAS), Trav. Choupana s/n, Santiago de Compostela, 15706, Spain., Val C; Innopharma Drug Screening and Pharmacogenomics Platform, Center for Research in Molecular Medicine and Chronic Diseases (CiMUS), Department of Pharmacology, Pharmacy and Pharmaceutical Technology, University of Santiago de Compostela, Santiago de Compostela, Spain; Health Research Institute of Santiago de Compostela (IDIS), University Hospital of Santiago de Compostela (SERGAS), Trav. Choupana s/n, Santiago de Compostela, 15706, Spain., Pallàs M; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain; Centro de Investigación en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, Madrid, Spain., Muñoz-Torrero D; Laboratory of Medicinal Chemistry, Faculty of Pharmacy and Food Sciences, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Biomedicine (IBUB), University of Barcelona, Av. Diagonal 643, Barcelona, Spain. Electronic address: dmunoztorrero@ub.edu., Griñán-Ferré C; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain; Centro de Investigación en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, Madrid, Spain. Electronic address: christian.grinan@ub.edu.
Source: European journal of medicinal chemistry [Eur J Med Chem] 2026 Aug 05; Vol. 312, pp. 118852. Date of Electronic Publication: 2026 Apr 09.
Publication Type: Journal Article
Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE
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  Data: Structure-based virtual screening, in vitro and in silico analysis identified novel potent m6A demethylase FTO inhibitors as promising neurotherapeutic agents.
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  Data: <searchLink fieldCode="AU" term="%22Irisarri+A%22">Irisarri A</searchLink>; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Bellver-Sanchis+A%22">Bellver-Sanchis A</searchLink>; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Choudhary+BS%22">Choudhary BS</searchLink>; Department of Pharmacy, Central University of Rajasthan, Bandarsindari, Ajmer, India.<br /><searchLink fieldCode="AU" term="%22Mallo-Abreu+A%22">Mallo-Abreu A</searchLink>; Laboratory of Medicinal Chemistry, Faculty of Pharmacy and Food Sciences, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Biomedicine (IBUB), University of Barcelona, Av. Diagonal 643, Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Labrador+L%22">Labrador L</searchLink>; Department of Pharmacology and Therapeutics, Health Science Center-University of Florida, Gainesville, FL, USA.<br /><searchLink fieldCode="AU" term="%22Casadesus+G%22">Casadesus G</searchLink>; Department of Pharmacology and Therapeutics, Health Science Center-University of Florida, Gainesville, FL, USA.<br /><searchLink fieldCode="AU" term="%22Pérez+B%22">Pérez B</searchLink>; Department of Pharmacology, Therapeutic and Toxicology, Universitat Autònoma de Barcelona, Barcelona, Spain.<br /><searchLink fieldCode="AU" term="%22Jana+A%22">Jana A</searchLink>; Department of Chemistry, National Institute of Technology Durgapur, Durgapur, India.<br /><searchLink fieldCode="AU" term="%22Banerjee+DR%22">Banerjee DR</searchLink>; Department of Chemistry, National Institute of Technology Durgapur, Durgapur, India.<br /><searchLink fieldCode="AU" term="%22Iriepa+I%22">Iriepa I</searchLink>; Universidad de Alcalá, Departamento de Química Orgánica y Química Inorgánica, Instituto de Investigación Química 'Andrés M. del Río' (IQAR), Alcalá de Henares, Madrid, 28805, Spain; Grupo DISCOBAC, Instituto de Investigación Sanitaria de Castilla-La Mancha (IDISCAM), Alcalá de Henares, Madrid, 28805, Spain.<br /><searchLink fieldCode="AU" term="%22Isabel+Loza+M%22">Isabel Loza M</searchLink>; Innopharma Drug Screening and Pharmacogenomics Platform, Center for Research in Molecular Medicine and Chronic Diseases (CiMUS), Department of Pharmacology, Pharmacy and Pharmaceutical Technology, University of Santiago de Compostela, Santiago de Compostela, Spain; Health Research Institute of Santiago de Compostela (IDIS), University Hospital of Santiago de Compostela (SERGAS), Trav. Choupana s/n, Santiago de Compostela, 15706, Spain.<br /><searchLink fieldCode="AU" term="%22Brea+J%22">Brea J</searchLink>; Innopharma Drug Screening and Pharmacogenomics Platform, Center for Research in Molecular Medicine and Chronic Diseases (CiMUS), Department of Pharmacology, Pharmacy and Pharmaceutical Technology, University of Santiago de Compostela, Santiago de Compostela, Spain; Health Research Institute of Santiago de Compostela (IDIS), University Hospital of Santiago de Compostela (SERGAS), Trav. Choupana s/n, Santiago de Compostela, 15706, Spain.<br /><searchLink fieldCode="AU" term="%22Val+C%22">Val C</searchLink>; Innopharma Drug Screening and Pharmacogenomics Platform, Center for Research in Molecular Medicine and Chronic Diseases (CiMUS), Department of Pharmacology, Pharmacy and Pharmaceutical Technology, University of Santiago de Compostela, Santiago de Compostela, Spain; Health Research Institute of Santiago de Compostela (IDIS), University Hospital of Santiago de Compostela (SERGAS), Trav. Choupana s/n, Santiago de Compostela, 15706, Spain.<br /><searchLink fieldCode="AU" term="%22Pallàs+M%22">Pallàs M</searchLink>; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain; Centro de Investigación en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, Madrid, Spain.<br /><searchLink fieldCode="AU" term="%22Muñoz-Torrero+D%22">Muñoz-Torrero D</searchLink>; Laboratory of Medicinal Chemistry, Faculty of Pharmacy and Food Sciences, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Biomedicine (IBUB), University of Barcelona, Av. Diagonal 643, Barcelona, Spain. Electronic address: dmunoztorrero@ub.edu.<br /><searchLink fieldCode="AU" term="%22Griñán-Ferré+C%22">Griñán-Ferré C</searchLink>; Department of Pharmacology, Toxicology and Therapeutic Chemistry, University of Barcelona, Av. Joan XXIII, 27-31, Barcelona, Spain; Institute of Neurosciences of the University of Barcelona, University of Barcelona, Barcelona, Spain; Centro de Investigación en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, Madrid, Spain. Electronic address: christian.grinan@ub.edu.
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  Data: <searchLink fieldCode="JN" term="%220420510%22">European journal of medicinal chemistry</searchLink> [Eur J Med Chem] 2026 Aug 05; Vol. 312, pp. 118852. <i>Date of Electronic Publication: </i>2026 Apr 09.
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