Insights into phenylalanine derivatives recognition of VLA-4 integrin: from a pharmacophoric study to 3D-QSAR and molecular docking analyses.
Macchiarulo
Antonio
A
Dipartimento di Chimica e Tecnologia del Farmaco, Università di Perugia, via del Liceo 1, 06127 Perugia, Italy.
Costantino
Gabriele
G
Meniconi
Mirco
M
Pleban
Karin
K
Ecker
Gerhard
G
Bellocchi
Daniele
D
Pellicciari
Roberto
R
D000595:Amino Acid Sequence; D039041:Integrin alpha4beta1 / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010649:Phenylalanine / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D017386:Sequence Homology, Amino Acid; D019010:Vascular Cell Adhesion Molecule-1 / Q000737:chemistry
D039041:Integrin alpha4beta1; D019010:Vascular Cell Adhesion Molecule-1; D010649:Phenylalanine