QSAR modeling of peripheral versus central benzodiazepine receptor binding affinity of 2-phenylimidazo[1,2-a]pyridineacetamides using optimal descriptors calculated with SMILES

QSAR and Combinatorial Science

Volumn 26, Issue 4, 2007, Pages 460-468

  Roy, Kunal ^a   Toropov, Andrey ^b   Raska, Ivan ^c  

^a JADAVPUR UNIVERSITY   (India)

^b S YU YUNUSOV INSTITUTE OF THE CHEMISTRY OF PLANT SUBSTANCES   (Uzbekistan)

^c CHARLES UNIVERSITY   (Czech Republic)

Author keywords

Optimal descriptor; Peripheral benzodiazepine receptor; QSAR; SMILES

Indexed keywords

COMPUTATIONAL CHEMISTRY;

BENZODIAZEPINES; BINDING AFFINITIES; CORTEXES; ENTRY SYSTEM; OPTIMAL DESCRIPTOR; OPTIMISATIONS; PERIPHERAL BENZODIAZEPINE RECEPTOR; QSAR; RECEPTOR BINDING; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM;

BINDING ENERGY;

2 PHENYLIMIDAZO[1,2 A]PYRIDINEACETAMIDE DERIVATIVE; ACETAMIDE DERIVATIVE; BENZODIAZEPINE RECEPTOR; UNCLASSIFIED DRUG;

ARTICLE; BRAIN CORTEX; CHEMICAL STRESS; MATHEMATICAL ANALYSIS; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 34250615587     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200630072     Document Type: Article

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