Refined docking as a valuable tool for lead optimization: Application to histamine H3 receptor antagonists

Archiv der Pharmazie

Volumn 341, Issue 10, 2008, Pages 610-623

  Levoin, Nicolas ^a,e   Calmels, Thierry ^a   Poupardin Olivier, Olivia ^a   Labeeuw, Olivier ^a   Danvy, Denis ^a   Robert, Philippe ^a   Berrebi Bertrand, Isabelle ^a   Ganellin, C Robin ^b   Schunack, Walter ^c   Stark, Holger ^d   Capet, Marc ^a  

^a Bioprojet Biotech ^*  (France)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c FREIE UNIVERSITÄT BERLIN   (Germany)

^d GOETHE UNIVERSITY   (Germany)

^e Bioprojet Biotech   (France)

Author keywords

CYP2D6; Docking; GPCR; H3; HERG

Indexed keywords

1' (6 CYANO 1,2,3,4 TETRAHYDRO 2 NAPHTHYL) 3,4 DIHYDRO 6 METHANESULFONAMIDOSPIRO[2H 1 BENZOPYRAN 2,4' PIPERIDIN] 4 OL; ALPHA METHYLHISTAMINE; ASTEMIZOLE; BP 2649; BUFURALOL; BUPRANOLOL; CIPROXIFAN; CISAPRIDE; COCAINE; CYTOCHROME P450 2D6; DEXTROMETHORPHAN; DIPHENHYDRAMINE; DROPERIDOL; ETHYLHEPTYL[4 (4 NITROPHENYL)BUTYL]AMINE; HISTAMINE H3 RECEPTOR ANTAGONIST; IMETIT; IMIDAZOLE DERIVATIVE; IMIPRAMINE; LIDOFLAZINE; MEXILETINE; MIANSERIN; OR 46; OR 68; POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; PROPAFENONE; TOLTERODINE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODIFICATION; CONTROLLED STUDY; DRUG BINDING SITE; DRUG METABOLISM; DRUG RECEPTOR BINDING; DRUG SCREENING; DRUG TARGETING; ENZYME ACTIVITY; ENZYME BINDING; GENE LIBRARY; HUMAN; LEAD OPTIMIZATION; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR MODEL; NUCLEOTIDE SEQUENCE; PRIORITY JOURNAL; PROTEIN DATABASE; STRUCTURAL HOMOLOGY;

BINDING SITES; CYTOCHROME P-450 CYP2D6; DRUG DESIGN; ETHER-A-GO-GO POTASSIUM CHANNELS; HISTAMINE H3 ANTAGONISTS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; RECEPTORS, HISTAMINE H3; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 53549100463     PISSN: 03656233     EISSN: 15214184     Source Type: Journal    
DOI: 10.1002/ardp.200800042     Document Type: Article

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