Literature DB >> 23010651

Computational modeling to accelerate the identification of substrates and inhibitors for transporters that affect drug disposition.

S Ekins1, J E Polli, P W Swaan, S H Wright.   

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Year:  2012        PMID： 23010651      PMCID： PMC4018235          DOI： 10.1038/clpt.2012.164

Source DB:  PubMed          Journal:  Clin Pharmacol Ther        ISSN： 0009-9236            Impact factor:   6.875


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  37 in total

1.  Targeting drug transporters - combining in silico and in vitro approaches to predict in vivo.

Authors:  Praveen M Bahadduri; James E Polli; Peter W Swaan; Sean Ekins
Journal:  Methods Mol Biol       Date:  2010

2.  Comparative pharmacophore modeling of organic anion transporting polypeptides: a meta-analysis of rat Oatp1a1 and human OATP1B1.

Authors:  Cheng Chang; K Sandy Pang; Peter W Swaan; Sean Ekins
Journal:  J Pharmacol Exp Ther       Date:  2005-04-21       Impact factor: 4.030

Review 3.  Membrane transporters in drug development.

Authors:  Kathleen M Giacomini; Shiew-Mei Huang; Donald J Tweedie; Leslie Z Benet; Kim L R Brouwer; Xiaoyan Chu; Amber Dahlin; Raymond Evers; Volker Fischer; Kathleen M Hillgren; Keith A Hoffmaster; Toshihisa Ishikawa; Dietrich Keppler; Richard B Kim; Caroline A Lee; Mikko Niemi; Joseph W Polli; Yuichi Sugiyama; Peter W Swaan; Joseph A Ware; Stephen H Wright; Sook Wah Yee; Maciej J Zamek-Gliszczynski; Lei Zhang
Journal:  Nat Rev Drug Discov       Date:  2010-03       Impact factor: 84.694

4.  Rapid identification of P-glycoprotein substrates and inhibitors.

Authors:  Cheng Chang; Praveen M Bahadduri; James E Polli; Peter W Swaan; Sean Ekins
Journal:  Drug Metab Dispos       Date:  2006-09-22       Impact factor: 3.922

Review 5.  Pharmacogenetics of hepatocellular transporters.

Authors:  Christiane Pauli-Magnus; Peter J Meier
Journal:  Pharmacogenetics       Date:  2003-04

6.  Structural determinants for transport across the intestinal bile acid transporter using C-24 bile acid conjugates.

Authors:  Rana Rais; Chayan Acharya; Alexander D Mackerell; James E Polli
Journal:  Mol Pharm       Date:  2010-11-01       Impact factor: 4.939

Review 7.  Organic cation transporters (OCTs, MATEs), in vitro and in vivo evidence for the importance in drug therapy.

Authors:  Anne T Nies; Hermann Koepsell; Katja Damme; Matthias Schwab
Journal:  Handb Exp Pharmacol       Date:  2011

8.  Identification of novel specific and general inhibitors of the three major human ATP-binding cassette transporters P-gp, BCRP and MRP2 among registered drugs.

Authors:  Pär Matsson; Jenny M Pedersen; Ulf Norinder; Christel A S Bergström; Per Artursson
Journal:  Pharm Res       Date:  2009-05-07       Impact factor: 4.200

Review 9.  Future directions for drug transporter modelling.

Authors:  S Ekins; G F Ecker; P Chiba; P W Swaan
Journal:  Xenobiotica       Date:  2007 Oct-Nov       Impact factor: 1.908

10.  Computational models for drug inhibition of the human apical sodium-dependent bile acid transporter.

Authors:  Xiaowan Zheng; Sean Ekins; Jean-Pierre Raufman; James E Polli
Journal:  Mol Pharm       Date:  2009 Sep-Oct       Impact factor: 4.939
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  11 in total

1.  Assessment of Substrate-Dependent Ligand Interactions at the Organic Cation Transporter OCT2 Using Six Model Substrates.

Authors:  Philip J Sandoval; Kimberley M Zorn; Alex M Clark; Sean Ekins; Stephen H Wright
Journal:  Mol Pharmacol       Date:  2018-06-08       Impact factor: 4.436

2.  Toward predicting drug-induced liver injury: parallel computational approaches to identify multidrug resistance protein 4 and bile salt export pump inhibitors.

Authors:  Matthew A Welch; Kathleen Köck; Thomas J Urban; Kim L R Brouwer; Peter W Swaan
Journal:  Drug Metab Dispos       Date:  2015-03-03       Impact factor: 3.922

Review 3.  ITC recommendations for transporter kinetic parameter estimation and translational modeling of transport-mediated PK and DDIs in humans.

Authors:  M J Zamek-Gliszczynski; C A Lee; A Poirier; J Bentz; X Chu; H Ellens; T Ishikawa; M Jamei; J C Kalvass; S Nagar; K S Pang; K Korzekwa; P W Swaan; M E Taub; P Zhao; A Galetin
Journal:  Clin Pharmacol Ther       Date:  2013-02-25       Impact factor: 6.875

4.  Human immunodeficiency virus protease inhibitors interact with ATP binding cassette transporter 4/multidrug resistance protein 4: a basis for unanticipated enhanced cytotoxicity.

Authors:  Yu Fukuda; Kazumasa Takenaka; Alex Sparreboom; Satish B Cheepala; Chung-Pu Wu; Sean Ekins; Suresh V Ambudkar; John D Schuetz
Journal:  Mol Pharmacol       Date:  2013-06-17       Impact factor: 4.436

5.  Bigger data, collaborative tools and the future of predictive drug discovery.

Authors:  Sean Ekins; Alex M Clark; S Joshua Swamidass; Nadia Litterman; Antony J Williams
Journal:  J Comput Aided Mol Des       Date:  2014-06-19       Impact factor: 3.686

Review 6.  Molecular and cellular physiology of organic cation transporter 2.

Authors:  Stephen H Wright
Journal:  Am J Physiol Renal Physiol       Date:  2019-11-04

7.  Multiple Computational Approaches for Predicting Drug Interactions with Human Equilibrative Nucleoside Transporter 1.

Authors:  Siennah R Miller; Thomas R Lane; Kimberley M Zorn; Sean Ekins; Stephen H Wright; Nathan J Cherrington
Journal:  Drug Metab Dispos       Date:  2021-05-12       Impact factor: 3.579

Review 8.  How Open Data Shapes In Silico Transporter Modeling.

Authors:  Floriane Montanari; Barbara Zdrazil
Journal:  Molecules       Date:  2017-03-07       Impact factor: 4.411

9.  The Intestinal Efflux Transporter Inhibition Activity of Xanthones from Mangosteen Pericarp: An In Silico, In Vitro and Ex Vivo Approach.

Authors:  Panudda Dechwongya; Songpol Limpisood; Nawong Boonnak; Supachoke Mangmool; Mariko Takeda-Morishita; Thitianan Kulsirirat; Pattarawit Rukthong; Korbtham Sathirakul
Journal:  Molecules       Date:  2020-12-11       Impact factor: 4.411

10.  Substrate-Dependent Inhibition of the Human Organic Cation Transporter OCT2: A Comparison of Metformin with Experimental Substrates.

Authors:  Kristina Hacker; Renke Maas; Johannes Kornhuber; Martin F Fromm; Oliver Zolk
Journal:  PLoS One       Date:  2015-09-01       Impact factor: 3.240
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