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AI-driven discovery of antiretroviral drug bictegravir and etravirine as inhibitors against monkeypox and related poxviruses.

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Title: AI-driven discovery of antiretroviral drug bictegravir and etravirine as inhibitors against monkeypox and related poxviruses.
Authors: Wang Y; School of Life Sciences and Biopharmaceutical Sciences, Shenyang Pharmaceutical University, Shenyang, China.; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Ünlü A; Biological Data Science Lab, Department of Computer Engineering, Hacettepe University, Ankara, Turkey.; Department of Bioinformatics, Graduate School of Health Sciences, Hacettepe University, Ankara, Turkey., Wang X; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Çevrim E; Biological Data Science Lab, Department of Computer Engineering, Hacettepe University, Ankara, Turkey.; Department of Bioinformatics, Graduate School of Health Sciences, Hacettepe University, Ankara, Turkey., Offermans DM; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Flesseman MP; Department of Anatomy and Embryology, Leiden University Medical Center, Leiden, The Netherlands.; The Novo Nordisk Foundation Center for Stem Cell Medicine (reNEW), Leiden University Medical Center, Leiden, The Netherlands., Zaeck LM; Department of Viroscience, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Wu L; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Bijvelds MJC; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Sam-Agudu NA; International Research Center of Excellence, Institute of Human Virology Nigeria, Abuja, Nigeria.; Department of Pediatrics and Child Health, School of Medical Sciences, University of Cape Coast, Cape Coast, Ghana.; Global Pediatrics Program and Division of Infectious Diseases, Department of Pediatrics, University of Minnesota Medical School, Minneapolis, MN, USA., de Vries RD; Department of Viroscience, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Raymond K; Department of Anatomy and Embryology, Leiden University Medical Center, Leiden, The Netherlands.; The Novo Nordisk Foundation Center for Stem Cell Medicine (reNEW), Leiden University Medical Center, Leiden, The Netherlands.; University of Grenoble Alpes, CEA, Inserm, IRIG, UA13 BGE, Biomics, Grenoble, France., Li P; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands., Olğaç A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Gazi University, Ankara, Turkey., Wang W; Department of Pathogen Biology and Immunology, Jiangsu Key Laboratory of Immunity and Metabolism, Jiangsu International Laboratory of Immunity and Metabolism, Xuzhou Medical University, Xuzhou, China. wenshi.wang@xzhmu.edu.cn., Doğan T; Biological Data Science Lab, Department of Computer Engineering, Hacettepe University, Ankara, Turkey. tuncadogan@gmail.com.; Department of Bioinformatics, Graduate School of Health Sciences, Hacettepe University, Ankara, Turkey. tuncadogan@gmail.com.; Department of Health Informatics, Institute of Informatics, Hacettepe University, Ankara, Turkey. tuncadogan@gmail.com., Pan Q; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands. q.pan@erasmusmc.nl.
Source: Communications biology [Commun Biol] 2025 Dec 02; Vol. 8 (1), pp. 1734. Date of Electronic Publication: 2025 Dec 02.
Publication Type: Journal Article
Journal Info: Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN: 2399-3642 (Electronic) Linking ISSN: 23993642 NLM ISO Abbreviation: Commun Biol Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: AI-driven discovery of antiretroviral drug bictegravir and etravirine as inhibitors against monkeypox and related poxviruses.
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  Data: <searchLink fieldCode="AU" term="%22Wang+Y%22">Wang Y</searchLink>; School of Life Sciences and Biopharmaceutical Sciences, Shenyang Pharmaceutical University, Shenyang, China.; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Ünlü+A%22">Ünlü A</searchLink>; Biological Data Science Lab, Department of Computer Engineering, Hacettepe University, Ankara, Turkey.; Department of Bioinformatics, Graduate School of Health Sciences, Hacettepe University, Ankara, Turkey.<br /><searchLink fieldCode="AU" term="%22Wang+X%22">Wang X</searchLink>; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Çevrim+E%22">Çevrim E</searchLink>; Biological Data Science Lab, Department of Computer Engineering, Hacettepe University, Ankara, Turkey.; Department of Bioinformatics, Graduate School of Health Sciences, Hacettepe University, Ankara, Turkey.<br /><searchLink fieldCode="AU" term="%22Offermans+DM%22">Offermans DM</searchLink>; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Flesseman+MP%22">Flesseman MP</searchLink>; Department of Anatomy and Embryology, Leiden University Medical Center, Leiden, The Netherlands.; The Novo Nordisk Foundation Center for Stem Cell Medicine (reNEW), Leiden University Medical Center, Leiden, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Zaeck+LM%22">Zaeck LM</searchLink>; Department of Viroscience, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Wu+L%22">Wu L</searchLink>; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Bijvelds+MJC%22">Bijvelds MJC</searchLink>; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Sam-Agudu+NA%22">Sam-Agudu NA</searchLink>; International Research Center of Excellence, Institute of Human Virology Nigeria, Abuja, Nigeria.; Department of Pediatrics and Child Health, School of Medical Sciences, University of Cape Coast, Cape Coast, Ghana.; Global Pediatrics Program and Division of Infectious Diseases, Department of Pediatrics, University of Minnesota Medical School, Minneapolis, MN, USA.<br /><searchLink fieldCode="AU" term="%22de+Vries+RD%22">de Vries RD</searchLink>; Department of Viroscience, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Raymond+K%22">Raymond K</searchLink>; Department of Anatomy and Embryology, Leiden University Medical Center, Leiden, The Netherlands.; The Novo Nordisk Foundation Center for Stem Cell Medicine (reNEW), Leiden University Medical Center, Leiden, The Netherlands.; University of Grenoble Alpes, CEA, Inserm, IRIG, UA13 BGE, Biomics, Grenoble, France.<br /><searchLink fieldCode="AU" term="%22Li+P%22">Li P</searchLink>; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands.<br /><searchLink fieldCode="AU" term="%22Olğaç+A%22">Olğaç A</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Gazi University, Ankara, Turkey.<br /><searchLink fieldCode="AU" term="%22Wang+W%22">Wang W</searchLink>; Department of Pathogen Biology and Immunology, Jiangsu Key Laboratory of Immunity and Metabolism, Jiangsu International Laboratory of Immunity and Metabolism, Xuzhou Medical University, Xuzhou, China. wenshi.wang@xzhmu.edu.cn.<br /><searchLink fieldCode="AU" term="%22Doğan+T%22">Doğan T</searchLink>; Biological Data Science Lab, Department of Computer Engineering, Hacettepe University, Ankara, Turkey. tuncadogan@gmail.com.; Department of Bioinformatics, Graduate School of Health Sciences, Hacettepe University, Ankara, Turkey. tuncadogan@gmail.com.; Department of Health Informatics, Institute of Informatics, Hacettepe University, Ankara, Turkey. tuncadogan@gmail.com.<br /><searchLink fieldCode="AU" term="%22Pan+Q%22">Pan Q</searchLink>; Department of Gastroenterology and Hepatology, Erasmus MC-University Medical Center, Rotterdam, The Netherlands. q.pan@erasmusmc.nl.
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  Data: <searchLink fieldCode="JN" term="%22101719179%22">Communications biology</searchLink> [Commun Biol] 2025 Dec 02; Vol. 8 (1), pp. 1734. <i>Date of Electronic Publication: </i>2025 Dec 02.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Nature+Publishing+Group+UK%22">Nature Publishing Group UK </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101719179 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2399-3642 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2223993642%22">23993642 </searchLink><i>NLM ISO Abbreviation: </i>Commun Biol <i>Subsets: </i>MEDLINE
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