Discovery of FDA-Approved Drugs as Inhibitors of Fatty Acid Binding Protein 4 Using Molecular Docking Screening
| Autor: | Yan Wang, Wai-Kit Law, Jian-Shu Hu, Huang-Quan Lin, Tsz-Ming Ip, David Chi-Cheong Wan |
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| Rok vydání: | 2014 |
| Předmět: |
Drug
Adipolysis Protein Conformation General Chemical Engineering media_common.quotation_subject Library and Information Sciences Pharmacology Fatty Acid-Binding Proteins Ligands Molecular Docking Simulation Fatty acid-binding protein Small Molecule Libraries Protein structure Metabolic Diseases Levofloxacin Drug Discovery medicine Humans heterocyclic compounds Drug Approval media_common United States Food and Drug Administration Chemistry Drug discovery General Chemistry biochemical phenomena metabolism and nutrition bacterial infections and mycoses United States humanities Computer Science Applications Trovafloxacin Biochemistry bacteria medicine.drug |
| Zdroj: | Journal of Chemical Information and Modeling. 54:3046-3050 |
| ISSN: | 1549-960X 1549-9596 |
| DOI: | 10.1021/ci500503b |
| Popis: | We first identified fluorescein, ketazolam, antrafenine, darifenacin, fosaprepitant, paliperidone, risperidone, pimozide, trovafloxacin, and levofloxacin as inhibitors of fatty acid binding protein 4 using molecular docking screening from FDA-approved drugs. Subsequently, the biochemical characterizations showed that levofloxacin directly inhibited FABP4 activity in both the in vitro ligand displacement assay and cell-based function assay. Furthermore, levofloxacin did not induce adipogenesis in adipocytes, which is the major adverse effect of FABP4 inhibitors. |
| Databáze: | OpenAIRE |
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