Molecular design of anticancer drug leads based on three-dimensional quantitative structure-activity relationship

Journal of Chemical Information and Modeling

Volumn 51, Issue 8, 2011, Pages 1999-2006

  Huang, Xiao Yan ^a   Shan, Zhi Jie ^a   Zhai, Hong Lin ^a   Li, Li Na ^a   Zhang, Xiao Yun ^a  

^a LANZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

STRUCTURES (BUILT OBJECTS);

COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; HEAT-SHOCK PROTEIN 90; MOLECULAR SIMULATIONS; PREDICTIVE CAPABILITIES; STATISTICAL PARAMETERS; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR); THREE-DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

COMPUTATIONAL CHEMISTRY;

ANTINEOPLASTIC AGENT; HEAT SHOCK PROTEIN 90; NOVOBIOCIN;

ARTICLE; BINDING SITE; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; HYDROGEN BOND; IC 50; METABOLISM; MOLECULAR LIBRARY; NEOPLASM; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; STATIC ELECTRICITY; THERMODYNAMICS;

ANTINEOPLASTIC AGENTS; BINDING SITES; COMPUTER SIMULATION; DRUG DESIGN; HSP90 HEAT-SHOCK PROTEINS; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INHIBITORY CONCENTRATION 50; LEAST-SQUARES ANALYSIS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NEOPLASMS; NOVOBIOCIN; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 80051982749     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2002236     Document Type: Article

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