Demystifying the three dimensional structure of G protein-coupled receptors (GPCRs) with the aid of molecular modeling.
We review our recent work on adenosine receptors, a family of GPCRs; focusing our attention on A3 adenosine receptor, we have demonstrated that the reciprocal integration of different theoretical and experimental disciplines can be very useful for the successful protein-based design of new, potent and selective receptor ligands.
Moro
Stefano
S
Molecular Modeling Section, Department of Pharmaceutical Sciences, University of Padova, Padova, Italy. stefano.moro@unipd.it
Deflorian
Francesca
F
Spalluto
Giampiero
G
Pastorin
Giorgia
G
Cacciari
Barbara
B
Kim
Soo-Kyung
SK
Jacobson
Kenneth A
KA
D000595:Amino Acid Sequence; D006801:Humans; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011487:Protein Conformation; D058915:Purinergic P1 Receptor Antagonists; D011725:Pyridines / Q000737:chemistry / Q000494:pharmacology; D018047:Receptors, Purinergic P1 / Q000737:chemistry*; D015398:Signal Transduction; D040681:Structural Homology, Protein
D058915:Purinergic P1 Receptor Antagonists; D011725:Pyridines; D018047:Receptors, Purinergic P1