DMD Fast Forward. Published on May 12, 2021 as DOI: 10.1124/dmd.121.000423 This article has not been copyedited and formatted. The final version may differ from this version. DMD-AR-2021-000423 1 Title Page Multiple Computational Approaches for Predicting Drug Interactions with Human Equilibrative Nucleoside Transporter 1 Siennah R. Miller, Thomas R. Lane, Kimberley M. Zorn, Sean Ekins, Stephen H. Wright, Nathan J. Cherrington Downloaded from College of Pharmacy, Department of Pharmacology & Toxicology, University of Arizona, Tucson AZ, USA (SRM, NJC) dmd.aspetjournals.org College of Medicine, Department of Physiology, University of Arizona, Tucson, AZ, USA (SHW) Collaborations Pharmaceuticals, Inc., Raleigh, NC, USA (KMZ, TRL, SE) Corresponding Authors: at ASPET Journals on October 2, 2021 Nathan J. Cherrington 1295 N Martin Ave, Tucson, AZ, 85721 (520)-626-0219,
[email protected] Stephen H. Wright 1501 N Campbell Ave, Tucson, AZ, 85724 (520)-626-4253,
[email protected] DMD Fast Forward. Published on May 12, 2021 as DOI: 10.1124/dmd.121.000423 This article has not been copyedited and formatted. The final version may differ from this version. DMD-AR-2021-000423 2 Running title page Running Title: Computational Approaches to Predict ENT1-Drug Interactions Total pages: 41 Figures: 8 Tables: 4 Abstract: 225 words Introduction: 688 words Downloaded from Discussion: 876 dmd.aspetjournals.org Abbreviations: BTB: Blood-testis barrier ENT: Equilibrative nucleoside transporter at ASPET Journals on October 2, 2021 NBMPR: 6-S-[(4-Nitrophenyl)methyl]-6-thioinosine QSAR: Quantitative structure-activity relationship SMILES: Simplified molecular-input line-entry system 3-D: Three-dimensional DMD Fast Forward.