title: Discovery of FDA-approved drugs as inhibitors of fatty acid binding protein 4 using molecular docking screening.
abstract: 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.
authors.affiliation: School of Biomedical Sciences, Faculty of Medicine, The Chinese University of Hong Kong , Shatin, Hong Kong SAR, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Wang
authors.forename: Wai-Kit
authors.initials: WK
authors.lastname: Law
authors.forename: Jian-Shu
authors.initials: JS
authors.lastname: Hu
authors.forename: Huang-Quan
authors.initials: HQ
authors.lastname: Lin
authors.forename: Tsz-Ming
authors.initials: TM
authors.lastname: Ip
authors.forename: David Chi-Cheong
authors.initials: DC
authors.lastname: Wan
mesh_terms: D017277:Drug Approval; D055808:Drug Discovery; D050556:Fatty Acid-Binding Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D008659:Metabolic Diseases / Q000188:drug therapy; D062105:Molecular Docking Simulation; D011487:Protein Conformation; D054852:Small Molecule Libraries / Q000378:metabolism* / Q000494:pharmacology* / Q000627:therapeutic use; D014481:United States; D014486:United States Food and Drug Administration
chemical_list: C493410:FABP4 protein, human; D050556:Fatty Acid-Binding Proteins; D008024:Ligands; D054852:Small Molecule Libraries