Significance Analysis and Multiple Pharmacophore Models for Differentiating P-Glycoprotein Substrates

  title={Significance Analysis and Multiple Pharmacophore Models for Differentiating P-Glycoprotein Substrates},
  author={Wuxiong Li and Leping Li and John Eksterowicz and Xuefeng Bruce Ling and Mario G. Cardozo},
  journal={Journal of chemical information and modeling},
  volume={47 6},
P-glycoprotein (Pgp) mediated drug efflux affects the absorption, distribution, and clearance of a broad structural variety of drugs. Early assessment of the potential of compounds to interact with Pgp can aid in the selection and optimization of drug candidates. To differentiate nonsubstrates from substrates of Pgp, a robust predictive pharmacophore model was targeted in a supervised analysis of three-dimensional (3D) pharmacophores from 163 published compounds. A comprehensive set of… CONTINUE READING


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