QSAR studies for prediction of cross-β sheet aggregate binding affinity and selectivity

Bioorganic and Medicinal Chemistry

Volumn 20, Issue 4, 2012, Pages 1434-1441

  Cisek, Katryna ^a   Kuret, Jeff ^a  

^a THE OHIO STATE UNIVERSITY COLLEGE OF MEDICINE   (United States)

Author keywords

Alzheimer's disease; Dispersion forces; Polarizability; Protein ligand interaction; QSAR

Indexed keywords

AMYLOID BETA PROTEIN[1-40]; BENZOTHIAZOLE DERIVATIVE; INSULIN; THIOFLAVINE;

ARTICLE; BETA SHEET; BINDING AFFINITY; BINDING SITE; CALIBRATION; CELL POLARITY; DRUG PROTEIN BINDING; DRUG SELECTIVITY; DRUG STRUCTURE; ELECTRIC FIELD; GENETIC ALGORITHM; HYDROPHILICITY; HYDROPHOBICITY; MULTIPLE LINEAR REGRESSION ANALYSIS; PARTITION COEFFICIENT; PREDICTION; PROTEIN AGGREGATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

AMYLOID BETA-PEPTIDES; BENZOTHIAZOLES; BINDING SITES; LIGANDS; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84857030499     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2011.12.062     Document Type: Article

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