| Autor: |
R. Čižmáriková, M. Polakovičová |
| Rok vydání: |
2012 |
| Předmět: |
|
| Zdroj: |
Acta Facultatis Pharmaceuticae Universitatis Comenianae. 59:44-53 |
| ISSN: |
0301-2298 |
| DOI: |
10.2478/v10219-012-0024-6 |
| Popis: |
Structural understanding of subtype specific ligand-binding pocket variations and interactions of ligand with receptor may facilitate design of novel selective drugs. To gain insights into the subtype selectivity of β-blockers we performed flexible molecular docking study to analyze the interaction mode of cardioselective phenoxyaminopropanol blocker into the β1 and β2-adrenergic receptor. The binding site analysis reveals a strong identity between important amino acid residues and interactions with ligand in orthosteric catecholamine- binding pocket. The differences in the binding mode of selective ligand have been identified in the extracellular region of receptor subtypes. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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