Literature DB >> 29240515

Binding modes of hERG blockers: an unsolved mystery in the drug design arena.

Subha Kalyaanamoorthy1, Khaled H Barakat1,2,3.   

Abstract

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Year:  2017        PMID： 29240515     DOI： 10.1080/17460441.2018.1418319

Source DB:  PubMed          Journal:  Expert Opin Drug Discov        ISSN： 1746-0441            Impact factor:   6.098


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  7 in total

1.  Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel.

Authors:  Horia Jalily Hasani; Aravindhan Ganesan; Marawan Ahmed; Khaled H Barakat
Journal:  PLoS One       Date:  2018-02-14       Impact factor: 3.240

2.  Structure-Based Prediction of hERG-Related Cardiotoxicity: A Benchmark Study.

Authors:  Teresa Maria Creanza; Pietro Delre; Nicola Ancona; Giovanni Lentini; Michele Saviano; Giuseppe Felice Mangiatordi
Journal:  J Chem Inf Model       Date:  2021-09-10       Impact factor: 6.162

Review 3.  Molecular dynamics: a powerful tool for studying the medicinal chemistry of ion channel modulators.

Authors:  Daniel Şterbuleac
Journal:  RSC Med Chem       Date:  2021-07-22

4.  New Drugs, Old Targets: Tweaking the Dopamine System to Treat Psychostimulant Use Disorders.

Authors:  Amy Hauck Newman; Therese Ku; Chloe J Jordan; Alessandro Bonifazi; Zheng-Xiong Xi
Journal:  Annu Rev Pharmacol Toxicol       Date:  2021-01-06       Impact factor: 16.459

5.  A Pooled Analysis of Three Randomized Phase I/IIa Clinical Trials Confirms Absence of a Clinically Relevant Effect on the QTc Interval by Umibecestat.

Authors:  Stefan Viktor Vormfelde; Nicole Pezous; Gilbert Lefèvre; Carine Kolly; Ulf Neumann; Pierre Jordaan; Mike Ufer; Eric Legangneux
Journal:  Clin Transl Sci       Date:  2020-07-23       Impact factor: 4.689

6.  The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.

Authors:  Ulf Neumann; Mike Ufer; Laura H Jacobson; Marie-Laure Rouzade-Dominguez; Gunilla Huledal; Carine Kolly; Rainer M Lüönd; Rainer Machauer; Siem J Veenstra; Konstanze Hurth; Heinrich Rueeger; Marina Tintelnot-Blomley; Matthias Staufenbiel; Derya R Shimshek; Ludovic Perrot; Wilfried Frieauff; Valerie Dubost; Hilmar Schiller; Barbara Vogg; Karen Beltz; Alexandre Avrameas; Sandrine Kretz; Nicole Pezous; Jean-Michel Rondeau; Nicolau Beckmann; Andreas Hartmann; Stefan Vormfelde; Olivier J David; Bruno Galli; Rita Ramos; Ana Graf; Cristina Lopez Lopez
Journal:  EMBO Mol Med       Date:  2018-11       Impact factor: 12.137

7.  A structure-based computational workflow to predict liability and binding modes of small molecules to hERG.

Authors:  Subha Kalyaanamoorthy; Shawn M Lamothe; Xiaoqing Hou; Tae Chul Moon; Harley T Kurata; Michael Houghton; Khaled H Barakat
Journal:  Sci Rep       Date:  2020-10-01       Impact factor: 4.379
  7 in total

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