Molecular Docking Guided Grid-Independent Descriptor Analysis to Probe the Impact of Water Molecules on Conformational Changes of hERG Inhibitors in Drug Trapping Phenomenon

Human ether a-go-go related gene (hERG) or KV11.1 potassium channels mediate the rapid delayed rectifier current (I(Kr)) in cardiac myocytes. Drug-induced inhibition of hERG channels has been implicated in the development of acquired long QT syndrome type (aLQTS) and fatal arrhythmias. Several marke...

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Detalles Bibliográficos
Autores principales: Munawar, Saba, Vandenberg, Jamie I., Jabeen, Ishrat
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6678931/
https://www.ncbi.nlm.nih.gov/pubmed/31295848
http://dx.doi.org/10.3390/ijms20143385

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6678931/
https://www.ncbi.nlm.nih.gov/pubmed/31295848
http://dx.doi.org/10.3390/ijms20143385

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