Prediction of Human Brain Penetration of P-glycoprotein and Breast Cancer Resistance Protein Substrates Using In Vitro Transporter Studies and Animal Models

J Pharm Sci. 2018 Aug;107(8):2225-2235. doi: 10.1016/j.xphs.2018.03.018. Epub 2018 Mar 30.

Abstract

Four P-glycoprotein (P-gp) and breast cancer resistance protein (BCRP) substrates with human cerebrospinal fluid (CSF) concentrations and preclinical neuropharmacokinetics were used to assess in vitro-in vivo extrapolation of brain penetration in preclinical species and the ability to predict human brain penetration. Unbound brain (Cb,u), unbound plasma (Cp,u), and CSF compound concentrations (CCSF) were measured in rats and nonhuman primates (NHPs), and the unbound partition coefficients (Cb,u/Cp,u and CCSF/Cp,u) were used to assess brain penetration. The results indicated that for P-gp and BCRP dual substrates, brain penetration was severally impaired in all species. In comparison, for P-gp substrates that are weak or non-BCRP substrates, improved brain penetration was observed in NHPs and humans than in rats. Overall, NHP appears to be more predictive of human brain penetration for P-gp substrates with weak or no interaction with BCRP than rat. Although CCSF does not quantitatively correspond to Cb,u for efflux transporter substrates, it is mostly within 3-fold higher of Cb,u in rat and NHP, suggesting that CCSF can be used as a surrogate for Cb,u. Taken together, a holistic approach including both in vitro transporter and in vivo neuropharmacokinetics data enables a better estimation of human brain penetration of P-gp/BCRP substrates.

Keywords: CNS; MDCK cells; P-glycoprotein; blood-brain barrier; membrane transporters.

MeSH terms

  • ATP Binding Cassette Transporter, Subfamily B, Member 1* / metabolism
  • ATP Binding Cassette Transporter, Subfamily G, Member 2* / metabolism
  • Animals
  • Azabicyclo Compounds / pharmacokinetics
  • Biological Transport
  • Blood-Brain Barrier / metabolism
  • Brain* / metabolism
  • Dogs
  • Drug Discovery
  • Humans
  • Imatinib Mesylate / pharmacokinetics
  • Imidazoles / pharmacokinetics
  • Madin Darby Canine Kidney Cells
  • Male
  • Models, Animal
  • Models, Biological*
  • Neoplasm Proteins* / metabolism
  • Pharmacokinetics*
  • Protein Kinase Inhibitors / pharmacokinetics
  • Rats
  • Rats, Sprague-Dawley

Substances

  • 1-methyl-1H-imidazole-4-carboxylic acid (3-chloro-4-fluoro-benzyl)-(3-methyl-3-aza-bicyclo(3.1.0) hex-6-ylmethyl)amide
  • ABCG2 protein, human
  • ATP Binding Cassette Transporter, Subfamily B, Member 1
  • ATP Binding Cassette Transporter, Subfamily G, Member 2
  • Azabicyclo Compounds
  • Imatinib Mesylate
  • Imidazoles
  • Neoplasm Proteins
  • Protein Kinase Inhibitors