Integrated Approach Including Docking, MD Simulations, and Network Analysis Highlights the Action Mechanism of the Cardiac hERG Activator RPR260243
Author:
Affiliation:
1. Dipartimento di Ingegneria Meccanica e Aerospaziale, Sapienza Università di Roma, via Eudossiana 18, 00184 Rome, Italy
2. Department of Pharmacy and Biotechnology, Alma Mater Studiorum−Università di Bologna, via Belmeloro 6, 40126 Bologna, Italy
Funder
H2020 European Research Council
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00596
Reference70 articles.
1. A family of potassium channel genes related to eag in Drosophila and mammals.
2. A mechanistic link between an inherited and an acquird cardiac arrthytmia: HERG encodes the IKr potassium channel
3. hERG potassium channels and cardiac arrhythmia
4. The EAG Voltage-Dependent K+ Channel Subfamily: Similarities and Differences in Structural Organization and Gating
5. Molecular dynamics simulations suggest possible activation and deactivation pathways in the hERG channel
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2. Molecular Insights into the Rescue Mechanism of an hERG Activator Against Severe LQT2 Mutations;2024-03-15
3. Facilitation of hERG Activation by Its Blocker: A Mechanism to Reduce Drug-Induced Proarrhythmic Risk;International Journal of Molecular Sciences;2023-11-13
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