Evidence map›Paper›PMID 29981151›Full record

ReviewClinical pharmacology and therapeutics2018

Molecular Modeling of Drug-Transporter Interactions-An International Transporter Consortium Perspective.

Avner Schlessinger, Matthew A Welch, Herman van Vlijmen, Ken Korzekwa, Peter W Swaan, Pär Matsson

Abstract readReview
In one paragraph

Review in Clinical pharmacology and therapeutics, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.

0numbers the graph read from it
0cells of the map it votes in
30citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

30 citing papers in PubMed.

  1. Article
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  5. Review
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  11. Article
  12. Review
  13. Review
  14. Transporters in Regulatory Science: Notable Contributions from Dr. Giacomini in the Past Two Decades.Drug metabolism and disposition: the biological fate of chemicals · 2022
    Article
  15. Review
  16. Drug metabolism and disposition: the biological fate of chemicals · 2022
    Article
  17. Article
  18. Article
  19. Article
  20. NicotinamideBiomolecules · 2021
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Avner SchlessingerDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Matthew A WelchDepartment of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, USA.
Herman van VlijmenComputational Chemistry, Discovery Sciences, Janssen Research & Development, Beerse, Belgium.
Ken KorzekwaDepartment of Pharmaceutical Sciences, Temple University, Philadelphia, Pennsylvania, USA.
Peter W SwaanDepartment of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, USA.
Pär MatssonDepartment of Pharmacy, Uppsala University, Uppsala, Sweden.

Funding

Structural Biology of the Apical Bile Acid Transporter.R01DK061425 · NIDDK · UNIVERSITY OF MARYLAND BALTIMORE · PI SWAAN, PETER W · 2003 to 2020
$4.6M
Predicting Intracellular Drug Concentrations In The Presence Of TransportersR01GM104178 · NIGMS · TEMPLE UNIV OF THE COMMONWEALTH · PI Kenneth Ray Korzekwa, Swati Nagar · 2013 to 2026
$4.0M
Improving prediction of drug interactions mediated by time-dependent inhibitorsR01GM114369 · NIGMS · TEMPLE UNIV OF THE COMMONWEALTH · PI KORZEKWA, KENNETH RAY, NAGAR, SWATI · 2016 to 2023
$3.2M
Substrate Specificity Determinants in Nutrient Solute Carrier TransportersR01GM108911 · NIGMS · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · PI SCHLESSINGER, AVNER · 2014 to 2022
$3.1M
Epithelial Transport and Function of RiboflavinR01DK056631 · NIDDK · UNIVERSITY OF MARYLAND BALTIMORE · PI SWAAN, PETER W · 2001 to 2003
$597k
NIDDK NIH HHS R01 DK056631NIDDK NIH HHS R01 DK061425NIGMS NIH HHS R01 GM104178NIGMS NIH HHS R01 GM108911NIGMS NIH HHS R01 GM114369
6 · The paper itself

Abstract

Membrane transporters play diverse roles in the pharmacokinetics and pharmacodynamics of small-molecule drugs. Understanding the mechanisms of drug-transporter interactions at the molecular level is, therefore, essential for the design of drugs with optimal therapeutic effects. This white paper examines recent progress, applications, and challenges of molecular modeling of membrane transporters, including modeling techniques that are centered on the structures of transporter ligands, and those focusing on the structures of the transporters. The goals of this article are to illustrate current best practices and future opportunities in using molecular modeling techniques to understand and predict transporter-mediated effects on drug disposition and efficacy.Membrane transporters from the solute carrier (SLC) and ATP-binding cassette (ABC) superfamilies regulate the cellular uptake, efflux, and homeostasis of many essential nutrients and significantly impact the pharmacokinetics of drugs; further, they may provide targets for novel therapeutics as well as facilitate prodrug approaches. Because of their often broad substrate selectivity they are also implicated in many undesirable and sometimes life-threatening drug-drug interactions (DDIs).

Indexed as

Molecular Docking SimulationMolecular Dynamics SimulationPharmacokineticsAnimalsDrug InteractionsDrug-Related Side Effects and Adverse ReactionsGenotypeHumansLigandsMembrane Transport ModulatorsMembrane Transport ProteinsPharmaceutical PreparationsPharmacogenomic VariantsPhenotypeProtein ConformationQuantitative Structure-Activity RelationshipLigandsMembrane Transport ModulatorsMembrane Transport ProteinsPharmaceutical Preparations

Identifiers

PMID29981151
PMCPMC6197929

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.