Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: Pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study

Journal of Medicinal Chemistry

Volumn 48, Issue 1, 2005, Pages 152-162

  Moro, Stefano ^a   Braiuca, Paolo ^b   Deflorian, Francesca ^a   Ferrari, Cristina ^a   Pastorin, Giorgia ^b   Cacciari, Barbara ^c   Baraldi, Pier Giovanni ^c   Varani, Katia ^c   Borea, Pier Andrea ^c   Spalluto, Giampiero ^a,b  

^a UNIVERSITY OF PADOVA   (Italy)

^b UNIVERSITY OF TRIESTE   (Italy)

^c UNIVERSITY OF FERRARA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

4 [3 (2 FURAN 2 YL 8 CYCLOHEXYLMETHYL 8H PYRAZOLO[4,3 E][1,2,4]TRIAZOLO[1,5 C]PYRIMIDIN 5 YL)UREIDO]PHENYLACETIC ACID ETHYL ESTER; 4 [3 (2 FURAN 2 YL 8 ISOPENTYL 8H PYRAZOLO[4,3 E][1,2,4]TRIAZOLO[1,5 C]PYRIMIDIN 5 YL)UREIDO]PHENYLACETIC ACID ETHYL ESTER; 4 [3 (2 FURAN 2 YL 8 METHYL 8H PYRAZOLO[4,3 E][1,2,4] TRIAZOLO[1,5 C]PYRIMIDIN 5 YL)UREIDO]PHENYLACETIC ACID ETHYL ESTER; 4 [3 (2 FURAN 2 YL 8 N OCTYL 8H PYRAZOLO[4,3 E][1,2,4]TRIAZOLO[1,5 C]PYRIMIDIN 5 YL)UREIDO]PHENYLACETIC ACID ETHYL ESTER; 5 [[(4 TOLYL)AMINO]CARBONYL]AMINO 8 CYCLOHEXYLMETHYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(4 TOLYL)AMINO]CARBONYL]AMINO 8 ISOPENTYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(4 TOLYL)AMNIO]CARBONYL]AMINO 8 N OCTYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(CYCLOHEXYL)AMINO]CARBONYL]AMINO 8 CYCLOHEXYLMETHYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(CYCLOHEXYL)AMINO]CARBONYL]AMINO 8 ISOPENTYL 2 (2 FURYL)PYRAZOLO[4,3 E]A,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(CYCLOHEXYL)AMINO]CARBONYL]AMINO 8 METHYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(CYCLOHEXYL)AMINO]CARBONYL]AMINO 8 N OCTYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(N PENTYL)AMINO]CARBONYL]AMINO 8 ISOPENTYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(N PENTYL)AMINO]CARBONYL]AMINO 8 METHYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[(N PENTYL)AMINO]CARBONYL]AMINO 8 N OCTYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 [[N PENTYL)AMINO]CARBONYL]AMINO 8 N OCTYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 AMINO 8 CYCLOHEXYLMETHYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 5 AMINO 8 N OCTYL 2 (2 FURYL)PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; ADENOSINE A3 RECEPTOR ANTAGONIST; PYRAZOLO[4,3 E]1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE DERIVATIVE; RHODOPSIN; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG BINDING SITE; DRUG DESIGN; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; LIGAND BINDING; PHARMACOPHORE; PROTEIN MOTIF; STRUCTURE ACTIVITY RELATION;

ANIMALS; BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; CRICETINAE; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ELECTROSTATICS; HUMANS; LIGANDS; MODELS, MOLECULAR; MODELS, THEORETICAL; PROTEIN CONFORMATION; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, ADENOSINE A3; REPRODUCIBILITY OF RESULTS; RHODOPSIN; TRIAZOLES;

EID: 19944429228     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049662f     Document Type: Article

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