Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches

scientific article published on May 2003

Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1016/S0960-894X(03)00196-3
P698PubMed publication ID12729675

P50authorMaria PreobrazhenskayaQ28355928
P2093author name stringRoy J Vaz
Xiao-Liang Chen
David Rampe
Jiesheng Kang
James Hendrix
Robert A Pearlstein
Andrey E Shchekotikhin
Ludmila N Lysenkova
Alexander M Korolev
Olga V Miroshnikova
P2860cites workThe open pore conformation of potassium channelsQ42677283
Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indolesQ43457096
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteinsQ47746759
Specific block of cloned Herg channels by clofilium and its tertiary analog LY97241.Q48951761
The cavity and pore helices in the KcsA K+ channel: electrostatic stabilization of monovalent cations.Q52210321
Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of HERG K(+) channel blockersQ57005299
Serotonin 5-HT2 receptor, dopamine D2 receptor, and alpha 1 adrenoceptor antagonists. Conformationally flexible analogues of the atypical antipsychotic sertindoleQ71537315
Development of a receptor-interaction model for serotonin 5-HT2 receptor antagonists. Predicting selectivity with respect to dopamine D2 receptorsQ72348912
Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activityQ72880559
From ab initio quantum mechanics to molecular neurobiology: a cation-pi binding site in the nicotinic receptorQ24647112
Crystal structure and mechanism of a calcium-gated potassium channelQ27639064
Block of HERG potassium channels by the antihistamine astemizole and its metabolites desmethylastemizole and norastemizoleQ28137852
A structural basis for drug-induced long QT syndromeQ28344808
A virtual screening method for prediction of the HERG potassium channel liability of compound librariesQ31054826
Drug-induced torsade de pointes: from molecular biology to bedside.Q33963301
Position of aromatic residues in the S6 domain, not inactivation, dictates cisapride sensitivity of HERG and eag potassium channelsQ34156425
Molecular and cellular mechanisms of cardiac arrhythmiasQ34175373
A mechanism for the proarrhythmic effects of cisapride (Propulsid): high affinity blockade of the human cardiac potassium channel HERG.Q36894709
Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channelQ40645984
High affinity blockade of the HERG cardiac K(+) channel by the neuroleptic pimozideQ40887315
HERG, a primary human ventricular target of the nonsedating antihistamine terfenadineQ42554539
P433issue10
P407language of work or nameEnglishQ1860
P304page(s)1829-1835
P577publication date2003-05-01
P1433published inBioorganic & Medicinal Chemistry LettersQ2709483
P1476titleCharacterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches
P478volume13