Molecular docking and QSAR studies on substituted acyl(thio)urea and thiadiazolo [2,3-α] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase

Chemical Biology and Drug Design

Volumn 76, Issue 3, 2010, Pages 245-254

  Sun, Jiaying ^a   Cai, Shaoxi ^a   Mei, Hu ^a   Li, Jian ^a   Yan, Ning ^a   Wang, Qin ^a   Lin, Zhihua ^b   Huo, Danqun ^a  

^a CHONGQING UNIVERSITY   (China)

^b CHONGQING UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

molecular design; molecular docking; neuraminidase inhibitors; QSAR; thiourea and thiadiazolo 2,3 a pyrimidine derivatives

Indexed keywords

PYRIMIDINE DERIVATIVE; SIALIDASE INHIBITOR; THIADIAZOLE DERIVATIVE; THIOUREA DERIVATIVE; ZANAMIVIR;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; COMPUTER PROGRAM; CORRELATION COEFFICIENT; DRUG PROTEIN BINDING; ENZYME INHIBITOR INTERACTION; HYDROGEN BOND; INFLUENZA VIRUS; MOLECULAR DOCKING; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTIVIRAL AGENTS; DRUG DESIGN; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; NEURAMINIDASE; ORTHOMYXOVIRIDAE; PROTEIN CONFORMATION; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIP; THIOUREA;

ORTHOMYXOVIRIDAE; RUMEX;

EID: 77955261237     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2010.01006.x     Document Type: Article

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