Pharmacophore modeling of cytochromes P450.

  title={Pharmacophore modeling of cytochromes P450.},
  author={Marcel J. de Groot and Sean Ekins},
  journal={Advanced drug delivery reviews},
  volume={54 3},
Understanding the binding of ligands in the active site of a membrane-bound protein is difficult in the absence of a crystal structure. When these proteins are the enzymes involved in drug metabolism, it leaves little option but to use site-directed mutagenesis and in vitro studies to provide critical information relating to determinants of binding affinity. Pharmacophore models and three-dimensional quantitative structure-activity relationships have been used either alone or in combination… CONTINUE READING