{"id":"https://openalex.org/W2996839478","doi":"https://doi.org/10.1021/acs.jcim.9b00737","title":"Toward a Structural View of hERG Activation by the Small-Molecule Activator ICA-105574","display_name":"Toward a Structural View of hERG Activation by the Small-Molecule Activator ICA-105574","publication_year":2019,"publication_date":"2019-12-26","ids":{"openalex":"https://openalex.org/W2996839478","doi":"https://doi.org/10.1021/acs.jcim.9b00737","mag":"2996839478","pmid":"https://pubmed.ncbi.nlm.nih.gov/31877041"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.9b00737","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00737","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5084395646","display_name":"Eva\u2010Maria Zangerl\u2010Plessl","orcid":"https://orcid.org/0000-0002-2484-115X"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Eva-Maria Zangerl-Plessl","raw_affiliation_strings":["Department of Pharmacology and Toxicology, University of Vienna, Althanstrasse 14, Wien, Vienna 1090, Austria"],"raw_orcid":"https://orcid.org/0000-0002-2484-115X","affiliations":[{"raw_affiliation_string":"Department of Pharmacology and Toxicology, University of Vienna, Althanstrasse 14, Wien, Vienna 1090, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075388422","display_name":"Martin Berger","orcid":"https://orcid.org/0000-0001-8350-9950"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Martin Berger","raw_affiliation_strings":["Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079493929","display_name":"Martina Drescher","orcid":null},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Martina Drescher","raw_affiliation_strings":["Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Yong Chen","orcid":null},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Yong Chen","raw_affiliation_strings":["Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108048871","display_name":"Wei Wu","orcid":"https://orcid.org/0000-0003-4228-2416"},"institutions":[{"id":"https://openalex.org/I223532165","display_name":"University of Utah","ror":"https://ror.org/03r0ha626","country_code":"US","type":"education","lineage":["https://openalex.org/I223532165"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wei Wu","raw_affiliation_strings":["Nora Eccles Harrison Cardiovascular Research and Training Institute and Division of Cardiovascular Medicine, Department of Internal Medicine, University of Utah, Salt Lake City, Utah 84132-340, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Nora Eccles Harrison Cardiovascular Research and Training Institute and Division of Cardiovascular Medicine, Department of Internal Medicine, University of Utah, Salt Lake City, Utah 84132-340, United States","institution_ids":["https://openalex.org/I223532165"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084246998","display_name":"Nuno Maulide","orcid":"https://orcid.org/0000-0003-3643-0718"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Nuno Maulide","raw_affiliation_strings":["Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria"],"raw_orcid":"https://orcid.org/0000-0003-3643-0718","affiliations":[{"raw_affiliation_string":"Institute of Organic Chemistry, University of Vienna, W\u00e4hringer Strasse 38, Wien, Vienna 1090, Austria","institution_ids":["https://openalex.org/I129774422"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026074309","display_name":"Michael C. Sanguinetti","orcid":"https://orcid.org/0000-0001-8974-0969"},"institutions":[{"id":"https://openalex.org/I223532165","display_name":"University of Utah","ror":"https://ror.org/03r0ha626","country_code":"US","type":"education","lineage":["https://openalex.org/I223532165"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael Sanguinetti","raw_affiliation_strings":["Nora Eccles Harrison Cardiovascular Research and Training Institute and Division of Cardiovascular Medicine, Department of Internal Medicine, University of Utah, Salt Lake City, Utah 84132-340, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Nora Eccles Harrison Cardiovascular Research and Training Institute and Division of Cardiovascular Medicine, Department of Internal Medicine, University of Utah, Salt Lake City, Utah 84132-340, United States","institution_ids":["https://openalex.org/I223532165"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009058982","display_name":"Anna Stary\u2010Weinzinger","orcid":"https://orcid.org/0000-0002-9202-0484"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Anna Stary-Weinzinger","raw_affiliation_strings":["Department of Pharmacology and Toxicology, University of Vienna, Althanstrasse 14, Wien, Vienna 1090, Austria"],"raw_orcid":"https://orcid.org/0000-0002-9202-0484","affiliations":[{"raw_affiliation_string":"Department of Pharmacology and Toxicology, University of Vienna, Althanstrasse 14, Wien, Vienna 1090, Austria","institution_ids":["https://openalex.org/I129774422"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5009058982"],"corresponding_institution_ids":["https://openalex.org/I129774422"],"apc_list":null,"apc_paid":null,"fwci":1.3511,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.83458437,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"60","issue":"1","first_page":"360","last_page":"371"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10217","display_name":"Cardiac electrophysiology and arrhythmias","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10217","display_name":"Cardiac electrophysiology and arrhythmias","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10493","display_name":"Ion channel regulation and function","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9902999997138977,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/herg","display_name":"hERG","score":0.8416884541511536},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6542372703552246},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.6477009057998657},{"id":"https://openalex.org/keywords/gating","display_name":"Gating","score":0.6167593002319336},{"id":"https://openalex.org/keywords/repolarization","display_name":"Repolarization","score":0.6144136190414429},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.534103274345398},{"id":"https://openalex.org/keywords/cardiac-action-potential","display_name":"Cardiac action potential","score":0.5027260780334473},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4743422567844391},{"id":"https://openalex.org/keywords/electrophysiology","display_name":"Electrophysiology","score":0.4225332736968994},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.38311490416526794},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.26588308811187744},{"id":"https://openalex.org/keywords/potassium-channel","display_name":"Potassium channel","score":0.24498218297958374},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.19392570853233337},{"id":"https://openalex.org/keywords/neuroscience","display_name":"Neuroscience","score":0.17149367928504944}],"concepts":[{"id":"https://openalex.org/C2779362680","wikidata":"https://www.wikidata.org/wiki/Q905000","display_name":"hERG","level":3,"score":0.8416884541511536},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6542372703552246},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.6477009057998657},{"id":"https://openalex.org/C194544171","wikidata":"https://www.wikidata.org/wiki/Q21105679","display_name":"Gating","level":2,"score":0.6167593002319336},{"id":"https://openalex.org/C146403970","wikidata":"https://www.wikidata.org/wiki/Q205729","display_name":"Repolarization","level":3,"score":0.6144136190414429},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.534103274345398},{"id":"https://openalex.org/C79743260","wikidata":"https://www.wikidata.org/wiki/Q2882301","display_name":"Cardiac action potential","level":4,"score":0.5027260780334473},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4743422567844391},{"id":"https://openalex.org/C185263204","wikidata":"https://www.wikidata.org/wiki/Q1154774","display_name":"Electrophysiology","level":2,"score":0.4225332736968994},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.38311490416526794},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.26588308811187744},{"id":"https://openalex.org/C83743174","wikidata":"https://www.wikidata.org/wiki/Q423778","display_name":"Potassium channel","level":2,"score":0.24498218297958374},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.19392570853233337},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.17149367928504944},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014982","descriptor_name":"Xenopus laevis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014982","descriptor_name":"Xenopus laevis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014982","descriptor_name":"Xenopus laevis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014982","descriptor_name":"Xenopus laevis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020285","descriptor_name":"Cryoelectron Microscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021241","descriptor_name":"Spectrometry, Mass, Electrospray Ionization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021241","descriptor_name":"Spectrometry, Mass, Electrospray Ionization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021241","descriptor_name":"Spectrometry, Mass, Electrospray Ionization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021241","descriptor_name":"Spectrometry, Mass, Electrospray Ionization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066241","descriptor_name":"Carbon-13 Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066241","descriptor_name":"Carbon-13 Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066241","descriptor_name":"Carbon-13 Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066241","descriptor_name":"Carbon-13 Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066244","descriptor_name":"Proton Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066244","descriptor_name":"Proton Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066244","descriptor_name":"Proton Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066244","descriptor_name":"Proton Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.9b00737","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00737","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:31877041","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31877041","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G5053374963","display_name":"Molecular Drug Targets","funder_award_id":"W1232","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"}],"funders":[{"id":"https://openalex.org/F4320321181","display_name":"Austrian Science Fund","ror":"https://ror.org/013tf3c58"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":66,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1233451781","https://openalex.org/W1512673128","https://openalex.org/W1963882671","https://openalex.org/W1968098810","https://openalex.org/W1969356076","https://openalex.org/W1969847472","https://openalex.org/W1973191530","https://openalex.org/W1984804635","https://openalex.org/W1992358610","https://openalex.org/W1997281212","https://openalex.org/W1999864002","https://openalex.org/W2002129838","https://openalex.org/W2015688756","https://openalex.org/W2017196167","https://openalex.org/W2021636027","https://openalex.org/W2023223425","https://openalex.org/W2026635347","https://openalex.org/W2032810924","https://openalex.org/W2034172298","https://openalex.org/W2041110681","https://openalex.org/W2043997328","https://openalex.org/W2049475242","https://openalex.org/W2049592631","https://openalex.org/W2053479262","https://openalex.org/W2055524528","https://openalex.org/W2067174909","https://openalex.org/W2073268852","https://openalex.org/W2081693079","https://openalex.org/W2085214106","https://openalex.org/W2089769179","https://openalex.org/W2097386044","https://openalex.org/W2101929104","https://openalex.org/W2107763854","https://openalex.org/W2108992311","https://openalex.org/W2124653618","https://openalex.org/W2126688997","https://openalex.org/W2127472214","https://openalex.org/W2128572087","https://openalex.org/W2132267388","https://openalex.org/W2137453413","https://openalex.org/W2144288821","https://openalex.org/W2147993766","https://openalex.org/W2152195928","https://openalex.org/W2157807881","https://openalex.org/W2158013260","https://openalex.org/W2163863644","https://openalex.org/W2164311861","https://openalex.org/W2165940495","https://openalex.org/W2168034088","https://openalex.org/W2170634268","https://openalex.org/W2323956997","https://openalex.org/W2340175595","https://openalex.org/W2340423926","https://openalex.org/W2501001405","https://openalex.org/W2529452645","https://openalex.org/W2576043251","https://openalex.org/W2607224862","https://openalex.org/W2613159616","https://openalex.org/W2762489564","https://openalex.org/W2774089051","https://openalex.org/W2774550605","https://openalex.org/W2916379543","https://openalex.org/W2949806249","https://openalex.org/W2950877693","https://openalex.org/W6695871661"],"related_works":["https://openalex.org/W1987359194","https://openalex.org/W1982017552","https://openalex.org/W2607224862","https://openalex.org/W128018718","https://openalex.org/W2011178741","https://openalex.org/W105083167","https://openalex.org/W4211036692","https://openalex.org/W1998958839","https://openalex.org/W2129732568","https://openalex.org/W2040918531"],"abstract_inverted_index":{"Outward":[0],"current":[1],"conducted":[2,37],"by":[3,38,61,103,142],"human":[4,28],"ether":[5],"-":[6,8,10],"\u00e0":[7],"go":[9,11],"-related":[12],"gene":[13],"type":[14],"1":[15],"(hERG1)":[16],"K":[17],"+":[18],"channels":[19,40],"is":[20],"important":[21],"for":[22,115,201],"action":[23,240],"potential":[24],"repolarization":[25,84],"in":[26,45],"the":[27,46,111,129,139,146,149,159,178,187,190,194,198,202,209,218,229,232],"ventricle.":[29],"Rapid,":[30],"voltage-dependent":[31],"inactivation":[32],"greatly":[33],"reduces":[34],"outward":[35],"currents":[36],"hERG1":[39,58,102,136],"and":[41,158,172,180,206,238],"involves":[42],"conformational":[43],"changes":[44],"ion":[47],"selectivity":[48],"filter":[49],"(SF).":[50],"Recently,":[51],"compounds":[52,71],"have":[53],"been":[54],"found":[55],"that":[56,208,226],"activate":[57],"channel":[59,236],"function":[60],"modulating":[62],"gating":[63],"mechanisms":[64,141],"such":[65],"as":[66],"reducing":[67],"inactivation.":[68,107],"Such":[69],"activating":[70],"could":[72],"represent":[73],"a":[74,95,118,174,242],"novel":[75,162],"approach":[76],"to":[77,117,137,220,234],"prevent":[78],"arrhythmias":[79],"associated":[80,85],"with":[81,86],"prolonged":[82],"ventricular":[83],"inherited":[87],"or":[88],"acquired":[89],"long":[90],"QT":[91],"syndrome.":[92],"ICA-105574":[93],"(ICA),":[94],"3-nitro-":[96],"n":[97],"-(4-phenoxyphenyl)":[98],"benzamide":[99,199],"derivative":[100],"activates":[101],"strongly":[104],"attenuating":[105],"pore-type":[106],"We":[108],"previously":[109],"mapped":[110],"putative":[112],"binding":[113],"site":[114],"ICA":[116,144,163,205,227],"hydrophobic":[119],"pocket":[120],"located":[121],"between":[122,177],"two":[123],"adjacent":[124],"subunits.":[125],"Here,":[126],"we":[127,165],"used":[128],"recently":[130],"reported":[131],"cryoelectron":[132],"microscopy":[133],"structures":[134],"of":[135,148,161,189,197,204,212,231],"elucidate":[138],"structural":[140,175],"which":[143],"influences":[145],"stability":[147,230],"SF.":[150],"By":[151],"combining":[152],"molecular":[153],"dynamics":[154,171],"simulations,":[155],"voltage-clamp":[156],"electrophysiology,":[157],"synthesis":[160],"derivatives,":[164],"provide":[166],"atomistic":[167],"insights":[168],"into":[169],"SF":[170,179,233],"propose":[173],"link":[176],"S6":[181],"segments.":[182],"Further,":[183],"our":[184],"study":[185],"highlights":[186],"importance":[188],"nitro":[191],"moiety,":[192],"at":[193],"meta":[195],"position":[196],"ring,":[200],"activity":[203,219],"reveals":[207],"(bio)isosteric":[210],"substitution":[211],"this":[213,239],"side":[214],"chain":[215],"can":[216],"switch":[217],"weak":[221],"inhibitors.":[222],"Our":[223],"findings":[224],"indicate":[225],"increases":[228],"attenuate":[235],"inactivation,":[237],"requires":[241],"fine-tuned":[243],"compound":[244],"geometry.":[245]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":1}],"updated_date":"2026-07-30T17:31:21.811387","created_date":"2025-10-10T00:00:00"}