| Autor: |
Kontoyianni, M., DeWeese, C., Penzotti, J. E., Lybrand, T. P. |
| Zdroj: |
Journal of Medicinal Chemistry; October 25, 1996, Vol. 39 Issue: 22 p4406-4420, 15p |
| Abstrakt: |
Computer-modeling techniques have been used to generate docked complexes for a series of β adrenergic agonists and antagonists with a three-dimensional model of the β2 adrenergic receptor. For all ligands tested, it proved possible to dock low-energy conformers in the receptor model, with sensible electrostatic, steric, and hydrogen-bonding interactions, many of which are supported by experimental studies of the β2 receptor. Our results illustrate the power of molecular modeling techniques, when coupled with appropriate experimental methods and data, to investigate structure−function properties of integral membrane receptor proteins that cannot yet be studied by direct structural methods. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
|
