Potent inhibitors of human immunodeficiency virus type 1 integrase: identification of a novel four-point pharmacophore and tetracyclines as novel inhibitors.

@article{Neamati1997PotentIO,
  title={Potent inhibitors of human immunodeficiency virus type 1 integrase: identification of a novel four-point pharmacophore and tetracyclines as novel inhibitors.},
  author={Nouri Neamati and Hui Hong and Sanjay Sunder and George W. A. Milne and Yves Pommier},
  journal={Molecular pharmacology},
  year={1997},
  volume={52 6},
  pages={
          1041-55
        }
}
A four-point pharmacophore was constructed from energy-minimized structures of chicoric acid and dicaffeoylquinic acid. The search of 206,876 structures in the National Cancer Institute 3D database yielded 179 compounds that contain this pharmacophore. Thirty-nine of these compounds were tested in an in vitro assay specific for human immunodeficiency virus type 1 integrase (IN). Each retrieved structure was fit to the pharmacophore, and the conformation that afforded the best fit was identified… Expand
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  • Biology, Medicine
  • Expert opinion on investigational drugs
  • 2001
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