Kyle C. Rouen
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View article: Arrhythmia Risk Predictions from Molecular Simulations of Cardiac Ion Channel-Drug Interactions
Arrhythmia Risk Predictions from Molecular Simulations of Cardiac Ion Channel-Drug Interactions Open
Unintended block of cardiac ion channels, particularly hERG (KV11.1), remains a key concern in drug development as disruption of ion channel function can lead to deadly arrhythmia. To assess proarrhythmic risk, we investigated h…
View article: Hybrid Extracellular Vesicles With Combined Functional Properties From Mesenchymal Stem Cells and Astrocytes for Targeted Neurodegenerative Disease Applications
Hybrid Extracellular Vesicles With Combined Functional Properties From Mesenchymal Stem Cells and Astrocytes for Targeted Neurodegenerative Disease Applications Open
Extracellular vesicles (EVs) have been investigated as nanotherapeutics and drug delivery systems for a wide range of disease indications. However, translational application of EVs is challenging due to their physical heterogeneity and var…
View article: Prediction of TdP Arrhythmia Risk Through Molecular Simulations of Conformation-specific Drug Interactions with the hERG K<sup>+</sup>, Na<sub>V</sub>1.5, and Ca<sub>V</sub>1.2 Channels
Prediction of TdP Arrhythmia Risk Through Molecular Simulations of Conformation-specific Drug Interactions with the hERG K<sup>+</sup>, Na<sub>V</sub>1.5, and Ca<sub>V</sub>1.2 Channels Open
Unintended block of cardiac ion channels, particularly hERG (K V 11.1), remains a key concern in drug development as disruption of ion channel function can lead to deadly arrhythmia. To assess proarrhythmic risk, we investigated how drugs …
View article: Molecular simulations reveal intricate coupling between agonist-bound β-adrenergic receptors and G protein
Molecular simulations reveal intricate coupling between agonist-bound β-adrenergic receptors and G protein Open
G protein-coupled receptors (GPCRs) and G proteins transmit signals from hormones and neurotransmitters across cell membranes, initiating downstream signaling and modulating cellular behavior. Using advanced computer modeling and simulatio…
View article: Atomistic mechanisms of the regulation of small-conductance Ca <sup>2+</sup> -activated K <sup>+</sup> channel (SK2) by PIP2
Atomistic mechanisms of the regulation of small-conductance Ca <sup>2+</sup> -activated K <sup>+</sup> channel (SK2) by PIP2 Open
Small-conductance Ca 2+ -activated K + channels (SK, K Ca 2) are gated solely by intracellular microdomain Ca 2+ . The channel has emerged as a therapeutic target for cardiac arrhythmias. Calmodulin (CaM) interacts with the CaM binding dom…
View article: Elucidating molecular mechanisms of protoxin-II state-specific binding to the human NaV1.7 channel
Elucidating molecular mechanisms of protoxin-II state-specific binding to the human NaV1.7 channel Open
Human voltage-gated sodium (hNaV) channels are responsible for initiating and propagating action potentials in excitable cells, and mutations have been associated with numerous cardiac and neurological disorders. hNaV1.7 channels are expre…
View article: Elucidating Molecular Mechanisms of Protoxin-2 State-specific Binding to the Human Na<sub>V</sub>1.7 Channel
Elucidating Molecular Mechanisms of Protoxin-2 State-specific Binding to the Human Na<sub>V</sub>1.7 Channel Open
Human voltage-gated sodium (hNa V ) channels are responsible for initiating and propagating action potentials in excitable cells and mutations have been associated with numerous cardiac and neurological disorders. hNa V 1.7 channels are ex…
View article: Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist, and stimulatory G protein
Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist, and stimulatory G protein Open
G protein-coupled receptors (GPCRs) represent the largest group of membrane receptors for transmembrane signal transduction. Ligand-induced activation of GPCRs triggers G protein activation followed by various signaling cascades. Understan…