Rationalizing lead optimization by consensus 2D- CoMFA CoMSIA GRIND (3D) QSAR guided fragment hopping in search of γ-secretase inhibitors

Molecular Diversity

Volumn 16, Issue 3, 2012, Pages 563-577

  Manoharan, Prabu ^a   Ghoshal, Nanda ^a  

^a INDIAN INSTITUTE OF CHEMICAL BIOLOGY   (India)

Author keywords

Alzheimer's disease; CoMFA; CoMSIA; Fragment Based Virtual screening (FBVS); Gamma secretase; GRIND

Indexed keywords

GAMMA SECRETASE INHIBITOR; LEAD;

ARTICLE; BOOTSTRAPPING; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONSENSUS; CONTROLLED STUDY; DRUG CONFORMATION; DRUG DESIGN; DRUG SCREENING; DRUG SYNTHESIS; HYDROPHOBICITY; IC 50; MOLECULAR MODEL; PHARMACOPHORE; PHYSICAL CHEMISTRY; PREDICTIVE VALUE; PRIORITY JOURNAL; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL ANALYSIS;

AMYLOID PRECURSOR PROTEIN SECRETASES; DRUG DESIGN; ENZYME INHIBITORS; MODELS, MOLECULAR; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 84869504407     PISSN: 13811991     EISSN: 1573501X     Source Type: Journal    
DOI: 10.1007/s11030-012-9388-8     Document Type: Article

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