TY - JOUR
T1 - Discovery of FDA-approved drugs as inhibitors of fatty acid binding protein 4 using molecular docking screening
AU - Wang, Yan
AU - Law, Wai Kit
AU - Hu, Jian Shu
AU - Lin, Huang Quan
AU - Ip, Tsz Ming
AU - Wan, David Chi Cheong
N1 - Publisher Copyright:
© 2014 American Chemical Society.
PY - 2014/11/24
Y1 - 2014/11/24
N2 - (Chemical Equation Presented) 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, levo floxacin did not induce adipogenesis in adipocytes, which is the major adverse effect of FABP4 inhibitors.
AB - (Chemical Equation Presented) 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, levo floxacin did not induce adipogenesis in adipocytes, which is the major adverse effect of FABP4 inhibitors.
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U2 - 10.1021/ci500503b
DO - 10.1021/ci500503b
M3 - Article
C2 - 25360897
AN - SCOPUS:84912574999
SN - 1549-9596
VL - 54
SP - 3046
EP - 3050
JO - Journal of Chemical Information and Modeling
JF - Journal of Chemical Information and Modeling
IS - 11
ER -