Insights into phenylalanine derivatives recognition of VLA-4 integrin: From a pharmacophoric study to 3D-QSAR and molecular docking analyses

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 5, 2004, Pages 1829-1839

  Macchiarulo, Antonio ^a   Costantino, Gabriele ^a   Meniconi, Mirco ^a   Pleban, Karin ^b   Ecker, Gerhard ^b   Bellocchi, Daniele ^a   Pellicciari, Roberto ^a,b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPUTATIONAL METHODS; DERIVATIVES; IMMUNOLOGY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PATHOLOGY;

CELL SURFACE RECEPTORS; MOLECULAR DOCKING ANALYSIS; STERIC INTERACTION ENERGIES;

DRUG PRODUCTS;

PHENYLALANINE; VASCULAR CELL ADHESION MOLECULE 1; VERY LATE ACTIVATION ANTIGEN 4;

AMINO ACID SEQUENCE; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR GENETICS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEQUENCE HOMOLOGY;

AMINO ACID SEQUENCE; INTEGRIN ALPHA4BETA1; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PHENYLALANINE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SEQUENCE HOMOLOGY, AMINO ACID; VASCULAR CELL ADHESION MOLECULE-1;

EID: 5444253973     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0499141     Document Type: Article

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