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Probing the Existence of a Metastable Binding Site at the β

Authors :
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
Source :
Journal of medicinal chemistry. 62(17)
Publication Year :
2019

Abstract

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

Subjects

Subjects :
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

Details

ISSN :
15204804
Volume :
62
Issue :
17
Database :
OpenAIRE
Journal :
Journal of medicinal chemistry
Accession number :
edsair.pmid..........6e99f45875f5b20c131181f4a364116d

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