QSAR Modeling and Data Mining Link Torsades de Pointes Risk to the Interplay of Extent of Metabolism, Active Transport, and hERG Liability-Reference-Cited by-同舟云学术

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QSAR Modeling and Data Mining Link Torsades de Pointes Risk to the Interplay of Extent of Metabolism, Active Transport, and hERG Liability

Published:2012-07-13 Issue:8 Volume:9 Page:2290-2301
ISSN:1543-8384
Container-title:Molecular Pharmaceutics
language:en
Short-container-title:Mol. Pharmaceutics

Author:

Broccatelli Fabio¹,Mannhold Raimund²,Moriconi Alessio³,Giuli Sandra³,Carosati Emanuele¹

Affiliation:

1. Laboratory for Chemometrics and Cheminformatics, Chemistry Department, University of Perugia, Via Elce di Sotto 10, I-06123 Perugia, Italy

2. Department of Laser Medicine, Molecular Drug Research Group, Heinrich-Heine-Universität, Universitätsstraße 1, D-40225 Düsseldorf, Germany

3. Research Center, Dompé s.p.a., Via Campo di Pile, I-67100 L’Aquila, Italy

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Pharmaceutical Science,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/mp300156r

Reference86 articles.

1. A mechanistic link between an inherited and an acquird cardiac arrthytmia: HERG encodes the IKr potassium channel

2. HERG, a Human Inward Rectifier in the Voltage-Gated Potassium Channel Family

3. hERG Channel Physiology and Drug‐Binding Structure–Activity Relationships

4. QSAR and Pharmacophores for Drugs Involved in hERG Blockage

5. Modeling hERG and its Interactions with Drugs: Recent Advances in Light of Current Potassium Channel Simulations

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