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. |
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| 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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| ISSN: | 2399-3642 |
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| DOI: | 10.1038/s42003-025-09129-x |
