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Investigating cardiotoxicity related with hERG channel blockers using molecular fingerprints and graph attention mechanism

Computers in biology and medicine, 2023-02, Vol.153, p.106464, Article 106464

2023

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Ion channels as drug targets in central nervous system disorders

Current medicinal chemistry, 2013-04, Vol.20 (10), p.1241

2013

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Computational investigations of hERG channel blockers: New insights and current predictive models

Advanced drug delivery reviews, 2015-06, Vol.86, p.72-82

2015

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3,5-Dialkoxypyridine analogues of bedaquiline are potent antituberculosis agents with minimal inhibition of the hERG channel

Bioorganic & medicinal chemistry, 2019-04, Vol.27 (7), p.1292-1307

2019

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The scorpion toxin BeKm‐1 blocks hERG cardiac potassium channels using an indispensable arginine residue

FEBS letters, 2024-04, Vol.598 (8), p.889-901

2024

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Medicinal Chemistry of Potassium Channel Modulators: An Update of Recent Progress (2011-2017)

Current medicinal chemistry, 2019-01, Vol.26 (12), p.2062

2019

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Toxin-induced conformational changes in a potassium channel revealed by solid-state NMR

Nature, 2006-04, Vol.440 (7086), p.959-962

2006

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Structure-activity relationships for unit C pyridyl analogues of the tuberculosis drug bedaquiline

Bioorganic & medicinal chemistry, 2019-04, Vol.27 (7), p.1283-1291

2019

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Structure-activity relationship studies of four novel 4-aminopyridine K + channel blockers

Scientific reports, 2020-01, Vol.10 (1), p.52-52, Article 52

2020

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Beyond hemostasis: a snake venom serine protease with potassium channel blocking and potential antitumor activities

Scientific reports, 2020-03, Vol.10 (1), p.4476, Article 4476

2020

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Aligned microchannel polymer-nanotube composites for peripheral nerve regeneration: Small molecule drug delivery

Journal of controlled release, 2019-02, Vol.296, p.54-67

2019

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sVmKTx, a transcriptome analysis-based synthetic peptide analogue of Vm24, inhibits Kv1.3 channels of human T cells with improved selectivity

Biochemical pharmacology, 2022-05, Vol.199, p.115023-115023, Article 115023

2022

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Functional role of Kv1.1 and Kv1.3 channels in the neoplastic progression steps of three cancer cell lines, elucidated by scorpion peptides

International journal of biological macromolecules, 2018-05, Vol.111, p.1146-1155

2018

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A potent and Kv1.3-selective analogue of the scorpion toxin HsTX1 as a potential therapeutic for autoimmune diseases

Scientific reports, 2014-03, Vol.4 (1), p.4509, Article 4509

2014

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An anthrone-based Kv7.2/7.3 channel blocker with improved properties for the investigation of psychiatric and neurodegenerative disorders

Bioorganic & medicinal chemistry letters, 2019-12, Vol.29 (23), p.126681, Article 126681

2019

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Calculation of absolute binding free energies between the hERG channel and structurally diverse drugs

Scientific reports, 2019-11, Vol.9 (1), p.16586-12, Article 16586

2019

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Virtual screening of DrugBank database for hERG blockers using topological Laplacian-assisted AI models

Computers in biology and medicine, 2023-02, Vol.153, p.106491, Article 106491

2023

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Chemical and biophysical characterization of novel potassium channel blocker 3-fluoro-5-methylpyridin-4-amine

Scientific reports, 2024-05, Vol.14 (1), p.11105-11105

2024

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Sea Anemones: Quiet Achievers in the Field of Peptide Toxins

Toxins, 2018-01, Vol.10 (1), p.36

2018

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Defensins, a novel type of animal toxin-like potassium channel inhibitor

Toxicon (Oxford), 2019-01, Vol.157, p.101-105

2019

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Prolonged immunomodulation in inflammatory arthritis using the selective Kv1.3 channel blocker HsTX1[R14A] and its PEGylated analog

Clinical immunology (Orlando, Fla.), 2017-07, Vol.180, p.45-57

2017

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Understanding and improving photo‐control of ion channels in nociceptors with azobenzene photo‐switches

British journal of pharmacology, 2018-06, Vol.175 (12), p.2296-2311

2018

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Ivabradine prolongs phase 3 of cardiac repolarization and blocks the hERG1 (KCNH2) current over a concentration-range overlapping with that required to block HCN4

Journal of molecular and cellular cardiology, 2015-08, Vol.85, p.71-78

2015

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Cross Pharmacological, Biochemical and Computational Studies of a Human Kv3.1b Inhibitor from Androctonus australis Venom

International journal of molecular sciences, 2021-11, Vol.22 (22), p.12290

2021

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Investigating cardiotoxicity related with hERG channel blockers using molecular fingerprints and graph attention mechanism

Direct Pharmacological Targeting of a Mitochondrial Ion Channel Selectively Kills Tumor Cells In Vivo

Ion channels as drug targets in central nervous system disorders

Computational investigations of hERG channel blockers: New insights and current predictive models

3,5-Dialkoxypyridine analogues of bedaquiline are potent antituberculosis agents with minimal inhibition of the hERG channel

The scorpion toxin BeKm‐1 blocks hERG cardiac potassium channels using an indispensable arginine residue

Medicinal Chemistry of Potassium Channel Modulators: An Update of Recent Progress (2011-2017)

Toxin-induced conformational changes in a potassium channel revealed by solid-state NMR

Structure-activity relationships for unit C pyridyl analogues of the tuberculosis drug bedaquiline

Structure-activity relationship studies of four novel 4-aminopyridine K + channel blockers

Beyond hemostasis: a snake venom serine protease with potassium channel blocking and potential antitumor activities

Aligned microchannel polymer-nanotube composites for peripheral nerve regeneration: Small molecule drug delivery

sVmKTx, a transcriptome analysis-based synthetic peptide analogue of Vm24, inhibits Kv1.3 channels of human T cells with improved selectivity

Functional role of Kv1.1 and Kv1.3 channels in the neoplastic progression steps of three cancer cell lines, elucidated by scorpion peptides

A potent and Kv1.3-selective analogue of the scorpion toxin HsTX1 as a potential therapeutic for autoimmune diseases

An anthrone-based Kv7.2/7.3 channel blocker with improved properties for the investigation of psychiatric and neurodegenerative disorders

Calculation of absolute binding free energies between the hERG channel and structurally diverse drugs

Virtual screening of DrugBank database for hERG blockers using topological Laplacian-assisted AI models

Chemical and biophysical characterization of novel potassium channel blocker 3-fluoro-5-methylpyridin-4-amine

Sea Anemones: Quiet Achievers in the Field of Peptide Toxins

Defensins, a novel type of animal toxin-like potassium channel inhibitor

Prolonged immunomodulation in inflammatory arthritis using the selective Kv1.3 channel blocker HsTX1[R14A] and its PEGylated analog

Understanding and improving photo‐control of ion channels in nociceptors with azobenzene photo‐switches

Ivabradine prolongs phase 3 of cardiac repolarization and blocks the hERG1 (KCNH2) current over a concentration-range overlapping with that required to block HCN4

Cross Pharmacological, Biochemical and Computational Studies of a Human Kv3.1b Inhibitor from Androctonus australis Venom

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