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Identification and optimization of a small molecule inhibitor of the ovarian tumor protease of the Crimean-Congo hemorrhagic fever virus.

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作者单位: Institute for Drug Discovery, Faculty of Medicine, Leipzig University 04103 Leipzig, Germany. [1] Institute for Drug Discovery, Faculty of Medicine, Leipzig University 04103 Leipzig, Germany; Center for Scalable Data Analytics and Artificial Intelligence, Leipzig University 04105 Leipzig, Germany. [2] Institute for Organic Chemistry, Faculty of Chemistry and Mineralogy, Leipzig University 04103 Leipzig, Germany. [3] Rudolf-Boehm Institute for Pharmacology and Toxicology, Faculty of Medicine, Leipzig University 04107 Leipzig, Germany. [4] Institute for Drug Discovery, Faculty of Medicine, Leipzig University 04103 Leipzig, Germany; Center for Scalable Data Analytics and Artificial Intelligence, Leipzig University 04105 Leipzig, Germany; Institute for Computer Science, Wilhelm Ostwald Institute for Physical and Theoretical Chemistry, Leipzig University, Leipzig, Germany; School of Embedded Composite Artificial Intelligence SECAI, Dresden/Leipzig, Germany; Department of Chemistry, Department of Pharmacology, Center for Structural Biology, Institute of Chemical Biology, Center for Applied Artificial Intelligence in Protein Dynamics, Vanderbilt University, Nashville, TN, United States of America. [5] Institute for Drug Discovery, Faculty of Medicine, Leipzig University 04103 Leipzig, Germany; Center for Scalable Data Analytics and Artificial Intelligence, Leipzig University 04105 Leipzig, Germany. Electronic address: Clara.Schoeder@medizin.uni-leipzig.de. [6] Institute for Drug Discovery, Faculty of Medicine, Leipzig University 04103 Leipzig, Germany. Electronic address: maik.tretbar@uni-leipzig.de. [7]
DOI 10.1016/j.bmc.2025.118093
PMID 39923558
发布时间 2025-02-09
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