Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening.

@article{Schuster2011IdentificationOC,
  title={Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening.},
  author={Daniela Schuster and Dorota Kowalik and Johannes Kirchmair and Christian Laggner and Patrick Markt and Christel Aebischer-Gumy and Fabian Str{\"o}hle and Gabriele Moeller and Gerhard Wolber and Thomas Wilckens and Thierry Langer and Alex Odermatt and Jerzy Adamski},
  journal={The Journal of steroid biochemistry and molecular biology},
  year={2011},
  volume={125 1-2},
  pages={148-61}
}
17β-Hydroxysteroid dehydrogenase type 3 and 5 (17β-HSD3 and 17β-HSD5) catalyze testosterone biosynthesis and thereby constitute therapeutic targets for androgen-related diseases or endocrine-disrupting chemicals. As a fast and efficient tool to identify potential ligands for 17βHSD3/5, ligand- and structure-based pharmacophore models for both enzymes were developed. The models were evaluated first by in silico screening of commercial compound databases and further experimentally validated by… CONTINUE READING

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