Probing the Existence of a Metastable Binding Site at the β

Allosteric Regulation / drug effects Alprenolol / chemical synthesis Binding Sites / drug effects Crystallography, X-Ray Dose-Response Relationship, Drug Humans Hydrophobic and Hydrophilic Interactions Ligands Molecular Dynamics Simulation Molecular Structure Receptors, Adrenergic, beta-2 / metabolism Structure-Activity Relationship

Journal

Journal of medicinal chemistry
ISSN: 1520-4804
Titre abrégé: J Med Chem
Pays: United States
ID NLM: 9716531

Informations de publication

Date de publication:
12 09 2019
Historique:
pubmed: 13 7 2019
medline: 1 7 2020
entrez: 13 7 2019
Statut: ppublish

Résumé

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

Identifiants

DOI: 10.1021/acs.jmedchem.9b00595 PMID: 31298548
pubmed: 31298548
doi: 10.1021/acs.jmedchem.9b00595
doi:

Substances chimiques

Ligands 0
Receptors, Adrenergic, beta-2 0
Alprenolol 877K5MQ27W

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

7806-7839

Auteurs

Birgit I Gaiser (BI)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.

Mia Danielsen (M)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.

Emil Marcher-Rørsted (E)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.
ORCID: 0000-0002-2783-6655

Kira Røpke Jørgensen (K)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.

Tomasz M Wróbel (TM)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.
Department of Synthesis and Chemical Technology of Pharmaceutical Substances, Faculty of Pharmacy , Medical University of Lublin , 4A Chodźki 20093 Lublin , Poland.
ORCID: 0000-0002-0313-2522

Mikael Frykman (M)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.

Henrik Johansson (H)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.

Hans Bräuner-Osborne (H)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.
ORCID: 0000-0001-9495-7388

David E Gloriam (DE)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.

Jesper Mosolff Mathiesen (JM)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.

Daniel Sejer Pedersen (D)

Department of Drug Design and Pharmacology , University of Copenhagen , Jagtvej 162 , 2100 Copenhagen , Denmark.
ORCID: 0000-0003-3926-7047

Articles similaires

[Redispensing of expensive oral anticancer medicines: a practical application].

Lisanne N van Merendonk, Kübra Akgöl, Bastiaan Nuijen
1.00
Humans Antineoplastic Agents Administration, Oral Drug Costs Counterfeit Drugs

Smoking Cessation and Incident Cardiovascular Disease.

Jun Hwan Cho, Seung Yong Shin, Hoseob Kim et al.
1.00
Humans Male Smoking Cessation Cardiovascular Diseases Female

Evaluation of Low-Value Services Across Major Medicare Advantage Insurers and Traditional Medicare.

Ciara Duggan, Adam L Beckman, Ishani Ganguli et al.
1.00
Humans United States Aged Cross-Sectional Studies Medicare Part C

Effectiveness of Virtual Yoga for Chronic Low Back Pain: A Randomized Clinical Trial.

Hallie Tankha, Devyn Gaskins, Amanda Shallcross et al.
1.00
Humans Yoga Low Back Pain Female Male

Classifications MeSH

questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Régulation allostérique › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Composés chimiques organiques › Amines › Aminoalcools › Propanolamines › Phénoxypropanolamines › Alprénolol › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Sites de fixation › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Cristallographie aux rayons X › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes toxicologiques › Relation dose-effet des médicaments › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Phénomènes chimiques › Interactions hydrophobes et hydrophiles › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Phénomènes chimiques › Structure moléculaire › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Récepteurs de surface cellulaire › Récepteurs aux neuromédiateurs › Récepteurs catécholaminergiques › Récepteurs adrénergiques › Récepteurs bêta-adrénergiques › Récepteurs bêta-2 adrénergiques › Probing the Existence of a Metastable Binding...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › Probing the Existence of a Metastable Binding...