Literature DB >> 26635886

Computational Models for Predictive Cardiac Ion Channel Pharmacology.

Vladimir Yarov-Yarovoy1, Toby W Allen2, Colleen E Clancy3.   

Abstract

A wealth of experimental data exists describing the elementary building blocks of complex physiological systems. However, it is increasingly apparent in the biomedical sciences that mechanisms of biological function cannot be observed or readily predicted via study of constituent elements alone. This is especially clear in the longstanding failures in prediction of effects of drug treatment for heart rhythm disturbances. These failures stem in part from classical assumptions that have been made in cardiac antiarrhythmic drug development - that a drug operates by one mechanism via one target receptor that arises from one gene.

Entities:  

Year:  2014        PMID: 26635886      PMCID: PMC4665638          DOI: 10.1016/j.ddmod.2014.04.001

Source DB:  PubMed          Journal:  Drug Discov Today Dis Models        ISSN: 1740-6757


  72 in total

1.  Mechanism of voltage gating in potassium channels.

Authors:  Morten Ø Jensen; Vishwanath Jogini; David W Borhani; Abba E Leffler; Ron O Dror; David E Shaw
Journal:  Science       Date:  2012-04-13       Impact factor: 47.728

2.  Multipass membrane protein structure prediction using Rosetta.

Authors:  Vladimir Yarov-Yarovoy; Jack Schonbrun; David Baker
Journal:  Proteins       Date:  2006-03-01

3.  Protein-protein docking with backbone flexibility.

Authors:  Chu Wang; Philip Bradley; David Baker
Journal:  J Mol Biol       Date:  2007-08-02       Impact factor: 5.469

4.  Sequential formation of ion pairs during activation of a sodium channel voltage sensor.

Authors:  Paul G DeCaen; Vladimir Yarov-Yarovoy; Elizabeth M Sharp; Todd Scheuer; William A Catterall
Journal:  Proc Natl Acad Sci U S A       Date:  2009-12-10       Impact factor: 11.205

5.  Preliminary report: effect of encainide and flecainide on mortality in a randomized trial of arrhythmia suppression after myocardial infarction.

Authors: 
Journal:  N Engl J Med       Date:  1989-08-10       Impact factor: 91.245

Review 6.  Innovative approaches to anti-arrhythmic drug therapy.

Authors:  Stanley Nattel; Leif Carlsson
Journal:  Nat Rev Drug Discov       Date:  2006-12       Impact factor: 84.694

Review 7.  Computations of standard binding free energies with molecular dynamics simulations.

Authors:  Yuqing Deng; Benoît Roux
Journal:  J Phys Chem B       Date:  2009-02-26       Impact factor: 2.991

Review 8.  Multiscale modelling of drug-induced effects on cardiac electrophysiological activity.

Authors:  T Brennan; M Fink; B Rodriguez
Journal:  Eur J Pharm Sci       Date:  2008-11-17       Impact factor: 4.384

9.  Application of PatchXpress planar patch clamp technology to the screening of new drug candidates for cardiac KCNQ1/KCNE1 (I Ks) activity.

Authors:  Elena S Trepakova; Manish G Malik; John P Imredy; Jacob R Penniman; Spencer J Dech; Joseph J Salata
Journal:  Assay Drug Dev Technol       Date:  2007-10       Impact factor: 1.738

10.  In silico Prediction of Sex-Based Differences in Human Susceptibility to Cardiac Ventricular Tachyarrhythmias.

Authors:  Pei-Chi Yang; Colleen E Clancy
Journal:  Front Physiol       Date:  2012-09-14       Impact factor: 4.566

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  6 in total

1.  Challenges and advances in atomistic simulations of potassium and sodium ion channel gating and permeation.

Authors:  Kevin R DeMarco; Slava Bekker; Igor Vorobyov
Journal:  J Physiol       Date:  2018-12-19       Impact factor: 5.182

Review 2.  Exploring cardiac form and function: A length-scale computational biology approach.

Authors:  William F Sherman; Anna Grosberg
Journal:  Wiley Interdiscip Rev Syst Biol Med       Date:  2019-12-02

Review 3.  Recent developments in using mechanistic cardiac modelling for drug safety evaluation.

Authors:  Mark R Davies; Ken Wang; Gary R Mirams; Antonello Caruso; Denis Noble; Antje Walz; Thierry Lavé; Franz Schuler; Thomas Singer; Liudmila Polonchuk
Journal:  Drug Discov Today       Date:  2016-02-15       Impact factor: 7.851

Review 4.  Computational Modeling of Electrophysiology and Pharmacotherapy of Atrial Fibrillation: Recent Advances and Future Challenges.

Authors:  Márcia Vagos; Ilsbeth G M van Herck; Joakim Sundnes; Hermenegild J Arevalo; Andrew G Edwards; Jussi T Koivumäki
Journal:  Front Physiol       Date:  2018-09-04       Impact factor: 4.566

5.  Ion Channel Modeling beyond State of the Art: A Comparison with a System Theory-Based Model of the Shaker-Related Voltage-Gated Potassium Channel Kv1.1.

Authors:  Sonja Langthaler; Jasmina Lozanović Šajić; Theresa Rienmüller; Seth H Weinberg; Christian Baumgartner
Journal:  Cells       Date:  2022-01-11       Impact factor: 6.600

6.  Molecular determinants of pro-arrhythmia proclivity of d- and l-sotalol via a multi-scale modeling pipeline.

Authors:  Kevin R DeMarco; Pei-Chi Yang; Vikrant Singh; Kazuharu Furutani; John R D Dawson; Mao-Tsuen Jeng; James C Fettinger; Slava Bekker; Van A Ngo; Sergei Y Noskov; Vladimir Yarov-Yarovoy; Jon T Sack; Heike Wulff; Colleen E Clancy; Igor Vorobyov
Journal:  J Mol Cell Cardiol       Date:  2021-05-29       Impact factor: 5.000

  6 in total

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