Discovery of multitarget-directed ligands against Alzheimer's disease through systematic prediction of chemical-protein interactions

Journal of Chemical Information and Modeling

Volumn 55, Issue 1, 2015, Pages 149-164

  Fang, Jiansong ^a   Li, Yongjie ^a   Liu, Rui ^a   Pang, Xiaocong ^a   Li, Chao ^a   Yang, Ranyao ^a   He, Yangyang ^a   Lian, Wenwen ^a   Liu, Ai Lin ^a,b,c   Du, Guan Hua ^a,b,c  

^a INSTITUTE OF MATERIA MEDICA   (China)

^b Beijing Key Laboratory of Drug Target Research and Drug Screening   (China)

^c State Key Laboratory of Bioactive Substance and Function of Natural Medicines   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSIFICATION (OF INFORMATION); COMPUTATIONAL CHEMISTRY; LIGANDS; MOLECULAR GRAPHICS; MOLECULES; NEURODEGENERATIVE DISEASES; PROTEINS; REGRESSION ANALYSIS;

ACETYLCHOLINESTERASE; ALZHEIMER'S DISEASE; EXPERIMENTAL VALIDATIONS; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; RECEIVER OPERATING CHARACTERISTIC CURVES; RECURSIVE PARTITIONING; TARGET IDENTIFICATION;

FORECASTING;

CDK5 PROTEIN, HUMAN; CHOLINESTERASE INHIBITOR; CYCLIN DEPENDENT KINASE 5; HISTAMINE H3 RECEPTOR ANTAGONIST; LIGAND;

ALZHEIMER DISEASE; ANIMAL; ANTAGONISTS AND INHIBITORS; BAYES THEOREM; CHEMISTRY; DRUG DEVELOPMENT; DRUG SCREENING; HUMAN; MOLECULARLY TARGETED THERAPY; PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; RECEIVER OPERATING CHARACTERISTIC; REPRODUCIBILITY;

ALZHEIMER DISEASE; ANIMALS; BAYES THEOREM; CHOLINESTERASE INHIBITORS; CYCLIN-DEPENDENT KINASE 5; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HISTAMINE H3 ANTAGONISTS; HUMANS; LIGANDS; MOLECULAR TARGETED THERAPY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; REPRODUCIBILITY OF RESULTS; ROC CURVE;

EID: 84921690392     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500574n     Document Type: Article

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