Molecular Properties of Drugs Interacting with SLC22 Transporters OAT1, OAT3, OCT1, and OCT2: A Machine-Learning Approach.

@article{Liu2016MolecularPO,
  title={Molecular Properties of Drugs Interacting with SLC22 Transporters OAT1, OAT3, OCT1, and OCT2: A Machine-Learning Approach.},
  author={Henry Liu and Anne Goldenberg and Yuchen Chen and Christina Lun and Wei Wu and Kevin T Bush and Natasha Balac and Paul F. Rodriguez and Ruben Abagyan and Sanjay K. Nigam},
  journal={The Journal of pharmacology and experimental therapeutics},
  year={2016},
  volume={359 1},
  pages={215-29}
}
Statistical analysis was performed on physicochemical descriptors of ∼250 drugs known to interact with one or more SLC22 "drug" transporters (i.e., SLC22A6 or OAT1, SLC22A8 or OAT3, SLC22A1 or OCT1, and SLC22A2 or OCT2), followed by application of machine-learning methods and wet laboratory testing of novel predictions. In addition to molecular charge, organic anion transporters (OATs) were found to prefer interacting with planar structures, whereas organic cation transporters (OCTs) interact… CONTINUE READING
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