Targeting human prostaglandin reductase 1 with Licochalcone A: Insights from molecular dynamics and covalent docking studies.

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Title: Targeting human prostaglandin reductase 1 with Licochalcone A: Insights from molecular dynamics and covalent docking studies.
Authors: Ramírez-Cortés SA; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico., Durán-Vargas A; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico., Rauda-Ceja JA; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico., Mendoza-Espinosa P; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico., Cofas-Vargas LF; Biosystems and Soft Matter Division, Institute of Fundamental Technological Research, Polish Academy of Sciences, Pawińskiego 5B, 02-106 Warsaw, Poland., Cruz-Rangel A; Biochemistry of Chronic Diseases Laboratory, National Institute of Genomic Medicine, INMEGEN, Mexico City, Mexico., Pérez-Carreón JI; Laboratory of Liver Diseases, National Institute of Genomic Medicine, INMEGEN, Mexico City, Mexico., García-Hernández E; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico. Electronic address: egarciah@unam.mx.
Source: Biophysical chemistry [Biophys Chem] 2025 May-Jun; Vol. 320-321, pp. 107410. Date of Electronic Publication: 2025 Feb 14.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Science B.V Country of Publication: Netherlands NLM ID: 0403171 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4200 (Electronic) Linking ISSN: 03014622 NLM ISO Abbreviation: Biophys Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Targeting human prostaglandin reductase 1 with Licochalcone A: Insights from molecular dynamics and covalent docking studies.
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  Data: <searchLink fieldCode="AU" term="%22Ramírez-Cortés+SA%22">Ramírez-Cortés SA</searchLink>; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico.<br /><searchLink fieldCode="AU" term="%22Durán-Vargas+A%22">Durán-Vargas A</searchLink>; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico.<br /><searchLink fieldCode="AU" term="%22Rauda-Ceja+JA%22">Rauda-Ceja JA</searchLink>; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico.<br /><searchLink fieldCode="AU" term="%22Mendoza-Espinosa+P%22">Mendoza-Espinosa P</searchLink>; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico.<br /><searchLink fieldCode="AU" term="%22Cofas-Vargas+LF%22">Cofas-Vargas LF</searchLink>; Biosystems and Soft Matter Division, Institute of Fundamental Technological Research, Polish Academy of Sciences, Pawińskiego 5B, 02-106 Warsaw, Poland.<br /><searchLink fieldCode="AU" term="%22Cruz-Rangel+A%22">Cruz-Rangel A</searchLink>; Biochemistry of Chronic Diseases Laboratory, National Institute of Genomic Medicine, INMEGEN, Mexico City, Mexico.<br /><searchLink fieldCode="AU" term="%22Pérez-Carreón+JI%22">Pérez-Carreón JI</searchLink>; Laboratory of Liver Diseases, National Institute of Genomic Medicine, INMEGEN, Mexico City, Mexico.<br /><searchLink fieldCode="AU" term="%22García-Hernández+E%22">García-Hernández E</searchLink>; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de Mexico, 04510, Mexico. Electronic address: egarciah@unam.mx.
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