Computer-aided drug discovery approach finds calcium sensitizer of cardiac troponin

Chemical Biology and Drug Design

Volumn 85, Issue 2, 2015, Pages 99-106

  Lindert, Steffen ^a,b   Li, Monica X ^c   Sykes, Brian D ^c   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b NSF Center for Theoretical Biological Physics   (United States)

^c UNIVERSITY OF ALBERTA   (Canada)

Author keywords

drug discovery; molecular modeling; NMR spectroscopy

Indexed keywords

4 [4 (2,5 DIMETHYLPHENYL) 1 PIPERAZINYL] 3 PYRIDINAMINE; CALCIUM SENSITIZER; TROPONIN; UNCLASSIFIED DRUG; AMINOPYRIDINE DERIVATIVE; CALCIUM; CARDIOTONIC AGENT; HYDRAZONE DERIVATIVE; PYRIDAZINE DERIVATIVE; SIMENDAN;

ARTICLE; DRUG SCREENING; HEART CONTRACTION; HETERONUCLEAR SINGLE QUANTUM COHERENCE; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; TITRIMETRY; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; DRUG EFFECTS; HEART; HUMAN; METABOLISM; MOLECULAR DOCKING;

AMINOPYRIDINES; CALCIUM; CARDIOTONIC AGENTS; COMPUTER-AIDED DESIGN; DRUG DESIGN; HEART; HUMANS; HYDRAZONES; MOLECULAR DOCKING SIMULATION; PYRIDAZINES; TROPONIN;

EID: 84920954539     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12381     Document Type: Article

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