The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 1, 2008, Pages 422-427

  Feher, Miklos ^a   Gao, Yinghong ^a   Baber, J Christian ^a   Shirley, William A ^a   Saunders, John ^a  

^a NEUROCRINE BIOSCIENCES INC   (United States)

Author keywords

De novo design; Fingerprints; GnRH receptor; Ligand based design; Scaffold hopping; SNRI

Indexed keywords

ATOMOXETINE; DE 2627227; GONADORELIN RECEPTOR; INDATRALINE; LIGAND; MDL 27777A; NORADRENALIN UPTAKE INHIBITOR; REBOXETINE; SERTRALINE; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; DRUG CONFORMATION; DRUG DESIGN; DRUG SCREENING; PHARMACOPHORE; STEREOCHEMISTRY; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; COMPUTER-AIDED DESIGN; DRUG DESIGN; HUMANS; LIGANDS; NEUROTRANSMITTER UPTAKE INHIBITORS; RECEPTORS, GONADOTROPIN;

EID: 38049014405     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.09.026     Document Type: Article

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