Probing the Existence of a Metastable Binding Site at the β

Autor:	Birgit I, Gaiser, Mia, Danielsen, Emil, Marcher-Rørsted, Kira, Røpke Jørgensen, Tomasz M, Wróbel, Mikael, Frykman, Henrik, Johansson, Hans, Bräuner-Osborne, David E, Gloriam, Jesper Mosolff, Mathiesen, Daniel, Sejer Pedersen
Rok vydání:	2019
Předmět:	Structure-Activity Relationship Binding Sites Allosteric Regulation Dose-Response Relationship Drug Molecular Structure Humans Receptors Adrenergic beta-2 Molecular Dynamics Simulation Alprenolol Crystallography X-Ray Ligands Hydrophobic and Hydrophilic Interactions
Zdroj:	Journal of medicinal chemistry. 62(17)
ISSN:	1520-4804
Popis:	Herein, we report the development of bitopic ligands aimed at targeting the orthosteric binding site (OBS) and a metastable binding site (MBS) within the same receptor unit. Previous molecular dynamics studies on ligand binding to the β
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::6e99f45875f5b20c131181f4a364116d https://pubmed.ncbi.nlm.nih.gov/31298548 Zobrazit plný text záznamu