Recent developments in computational prediction of hERG blockage

Current Topics in Medicinal Chemistry

Volumn 13, Issue 11, 2013, Pages 1317-1326

  Wang, Sichao ^a   Li, Youyong ^a   Xu, Lei ^a   Li, Dan ^b   Hou, Tingjun ^a,b  

^a SOOCHOW UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

ADME T; hERG; Homology modeling; Molecular docking; Pharmacophore modeling; QSAR; QSPR; QT prolongation

Indexed keywords

POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG;

CHEMICAL STRUCTURE; COMPUTER MODEL; HUMAN; PHARMACOLOGICAL BLOCKING; PHARMACOPHORE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; REVIEW; STRUCTURAL HOMOLOGY;

ARRHYTHMIAS, CARDIAC; DRUG DESIGN; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; DRUGS, INVESTIGATIONAL; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; POTASSIUM; POTASSIUM CHANNEL BLOCKERS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURAL HOMOLOGY, PROTEIN;

EID: 84881329253     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/15680266113139990036     Document Type: Review

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