A pharmacophore model for NK2 antagonist comprising compounds from several structurally diverse classes

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 4, 2002, Pages 273-286

  Poulsen, Anders ^a,b   Liljefors, Tommy ^a   Gundertofte, Klaus ^b   Bjørnholm, Berith ^b  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b H LUNDBECK A S   (Denmark)

Author keywords

Bioactive conformation; Conformational analysis; Enantioselectivity; MMFF force field; Neurokinin A; NK1 receptor; NK2 receptor; Pharmacophore model; Substance P; Tachykinin

Indexed keywords

AROMATIC COMPOUNDS; CONFORMATIONS; HYDROGEN BONDS; HYDROPHOBICITY; PHARMACODYNAMICS;

BIOACTIVE CONFORMATION; CONFORMATIONAL ANALYSIS; FORCEFIELDS; MMFF FORCE FIELD; NEUROKININ 2 RECEPTOR; NEUROKININ A; NK1 RECEPTOR; PHARMACOPHORE MODELS; SUBSTANCE-P; TACHYKININS;

ENANTIOSELECTIVITY;

3 (2 METHOXYBENZYLAMINO) 2 PHENYLPIPERIDINE; AROMATIC COMPOUND; GR 15987; GR 159897; NEUROKININ 1 RECEPTOR ANTAGONIST; NEUROKININ 2 RECEPTOR; NEUROKININ 2 RECEPTOR ANTAGONIST; SAREDUTANT; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG BINDING; DRUG CLASSIFICATION; DRUG CONFORMATION; DRUG STRUCTURE; DRUG SYNTHESIS; ENANTIOSELECTIVITY; HYDRATION; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR MODEL; PARALLEL DESIGN; PHARMACOPHORE; PRIORITY JOURNAL; REGRESSION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0036554712     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1020220306702     Document Type: Article

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