Selective CB2 receptor agonists. Part 1: The identification of novel ligands through computer-aided drug design (CADD) approaches

Bioorganic and Medicinal Chemistry Letters

Volumn 25, Issue 3, 2015, Pages 575-580

  Hickey, Eugene R ^a   Zindell, Renee ^a   Cirillo, Pier F ^a   Wu, Lifen ^a   Ermann, Monika ^b   Berry, Angela K ^a   Thomson, David S ^a   Albrecht, Claudia ^c   Gemkow, Mark J ^c   Riether, Doris ^a  

^a BOEHRINGER INGELHEIM PHARMACEUTICALS INC   (United States)

^b EVOTEC UK LTD   (United Kingdom)

^c EVOTEC AG   (Germany)

Author keywords

Cannabinoid receptor 2; De novo design; Ligand based; Proline; Scaffold hopping

Indexed keywords

AZETIDINE; AZETIDINE DERIVATIVE; CANNABINOID 2 RECEPTOR; CANNABINOID 2 RECEPTOR AGONIST; PIPERIDINE DERIVATIVE; PROLINE; THIOL GROUP; CANNABINOID 1 RECEPTOR; LIGAND; PROTEIN BINDING;

ARTICLE; COMPUTER AIDED DRUG DESIGN; CONFORMATION; DRUG DESIGN; EC50; ENANTIOMER; PARTIAL AGONISM; PHARMACOPHORE; WORKFLOW; AGONISTS; COMPUTER AIDED DESIGN; HUMAN; LIVER MICROSOME; METABOLISM; SOLUBILITY; STRUCTURE ACTIVITY RELATION;

COMPUTER-AIDED DESIGN; DRUG DESIGN; HUMANS; LIGANDS; MICROSOMES, LIVER; PROTEIN BINDING; RECEPTOR, CANNABINOID, CB1; RECEPTOR, CANNABINOID, CB2; SOLUBILITY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84920836519     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2014.12.033     Document Type: Article

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