Molecular properties of drugs interacting with SLC22 transporters OAT1, OAT3, OCT1, and OCT2: a machine-learning approach
HC Liu, A Goldenberg, Y Chen, C Lun, W Wu… - The Journal of …, 2016 - Elsevier
Statistical analysis was performed on physicochemical descriptors of∼ 250 drugs known to
interact with one or more SLC22 “drug” transporters (ie, 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 with more three-dimensional …
interact with one or more SLC22 “drug” transporters (ie, 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 with more three-dimensional …
