Cargando…

Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor

[Image: see text] A prospective, large library virtual screen against an activated β2-adrenergic receptor (β2AR) structure returned potent agonists to the exclusion of inverse-agonists, providing the first complement to the previous virtual screening campaigns against inverse-agonist-bound G protein...

Descripción completa

Detalles Bibliográficos
Autores principales:	Weiss, Dahlia R., Ahn, SeungKirl, Sassano, Maria F., Kleist, Andrew, Zhu, Xiao, Strachan, Ryan, Roth, Bryan L., Lefkowitz, Robert J., Shoichet, Brian K.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2013
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3658555/ https://www.ncbi.nlm.nih.gov/pubmed/23485065 http://dx.doi.org/10.1021/cb400103f

Ejemplares similares

Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets
por: Weiss, Dahlia R., et al.
Publicado: (2018)

A Pharmacological Organization of G Protein-coupled Receptors
por: Lin, Henry, et al.
Publicado: (2013)

Colloidal Aggregation Causes Inhibition of G Protein-Coupled Receptors
por: Sassano, Maria F., et al.
Publicado: (2013)

Loss of biased signaling at a G protein-coupled receptor in overexpressed systems
por: Li, Angus, et al.
Publicado: (2023)

Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor
por: Aristotelous, Tonia, et al.
Publicado: (2013)

Independent β-Arrestin2 and G(q)/Protein Kinase Cζ Pathways for ERK Stimulated by Angiotensin Type 1A Receptors in Vascular Smooth Muscle Cells Converge on Transactivation of the Epidermal Growth Factor Receptor
por: Kim, Jihee, et al.
Publicado: (2009)

Competing G protein-coupled receptor kinases balance G protein and β-arrestin signaling
por: Heitzler, Domitille, et al.
Publicado: (2012)

Unique Positive Cooperativity Between the β-Arrestin–Biased β-Blocker Carvedilol and a Small Molecule Positive Allosteric Modulator of the β2-Adrenergic Receptor
por: Pani, Biswaranjan, et al.
Publicado: (2021)

Identifying and sampling conformational states of SARS-CoV-2 m(pro) for flexible receptor docking
por: Smith, Matthew S., et al.
Publicado: (2023)

The incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery
por: Fischer, Marcus, et al.
Publicado: (2014)

β(2)-Adrenergic Ion-Channel Coupled Receptors as Conformational Motion Detectors
por: Caro, Lydia N., et al.
Publicado: (2011)

Conformationally Selective RNA Aptamers Allosterically Modulate the β(2)-Adrenoceptor
por: Kahsai, Alem W., et al.
Publicado: (2016)

β-Arrestin-2 Mediates Anti-apoptotic Signaling through Regulation of BAD Phosphorylation
por: Ahn, Seungkirl, et al.
Publicado: (2009)

Gi-protein-coupled β (1)-adrenergic receptor: re-understanding the selectivity of β (1)-adrenergic receptor to G protein : Gi-protein-coupled β (1)-adrenergic receptor
por: Chen, Hao, et al.
Publicado: (2022)

Adrenergic Neurotransmission
por: Roth, Robert H.
Publicado: (1969)

Arresting a Transient Receptor Potential (TRP) Channel: β-ARRESTIN 1 MEDIATES UBIQUITINATION AND FUNCTIONAL DOWN-REGULATION OF TRPV4
por: Shukla, Arun K., et al.
Publicado: (2010)

Local membrane charge regulates β(2) adrenergic receptor coupling to G(i3)
por: Strohman, M. J., et al.
Publicado: (2019)

NeuralDock: Rapid and Conformation-Agnostic Docking of Small Molecules
por: Sha, Congzhou M., et al.
Publicado: (2022)

Adrenergic Modulation of Visually-Guided Behavior
por: Treviño, Mario, et al.
Publicado: (2019)

Study on Platinum Coating Depth in Focused Ion Beam Diamond Cutting Tool Milling and Methods for Removing Platinum Layer
por: Choi, Woong Kirl, et al.
Publicado: (2015)

Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors
por: Bartuzi, Damian, et al.
Publicado: (2017)

The Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand Recognition
por: Merski, Matthew, et al.
Publicado: (2013)

Allosteric modulator potentiates β(2)AR agonist–promoted bronchoprotection in asthma models
por: Ahn, Seungkirl, et al.
Publicado: (2023)

Ultra-large library docking for discovering new chemotypes
por: Lyu, Jiankun, et al.
Publicado: (2019)

Impact of human autoantibodies on β(1)-adrenergic receptor conformation, activity, and internalization
por: Bornholz, Beatrice, et al.
Publicado: (2013)

Efficacy of the β(2)-adrenergic receptor is determined by conformational equilibrium in the transmembrane region
por: Kofuku, Yutaka, et al.
Publicado: (2012)

Crystal Structure of Oligomeric β(1)-Adrenergic G Protein- Coupled Receptors in Ligand-Free Basal State
por: Huang, Jianyun, et al.
Publicado: (2013)

Conformational dynamics of a class C G protein-coupled receptor
por: Vafabakhsh, Reza, et al.
Publicado: (2015)

Generative Topographic Mapping of the Docking Conformational Space
por: Horvath, Dragos, et al.
Publicado: (2019)

Assessment and Challenges of Ligand Docking into Comparative Models of G-Protein Coupled Receptors
por: Nguyen, Elizabeth Dong, et al.
Publicado: (2013)

Ligand Docking Methods to Recognize Allosteric Inhibitors for G-Protein-Coupled Receptors
por: Harini, K, et al.
Publicado: (2021)

Quantification of Beta Adrenergic Receptor Subtypes in Beta-Arrestin Knockout Mouse Airways
por: Hegde, Akhil, et al.
Publicado: (2015)

In Silico Molecular Comparisons of C. elegans and Mammalian Pharmacology Identify Distinct Targets That Regulate Feeding
por: Lemieux, George A., et al.
Publicado: (2013)

Ligand Pose and Orientational Sampling in Molecular Docking
por: Coleman, Ryan G., et al.
Publicado: (2013)

Discovery of Human Signaling Systems: Pairing Peptides to G Protein-Coupled Receptors
por: Foster, Simon R., et al.
Publicado: (2019)

CP-25 inhibits the hyperactivation of rheumatic synoviocytes by suppressing the switch in G(αs)-G(αi) coupling to the β(2)-adrenergic receptor
por: Ge, Mingli, et al.
Publicado: (2023)

Aldosterone Jeopardizes Myocardial Insulin and β-Adrenergic Receptor Signaling via G Protein-Coupled Receptor Kinase 2
por: Cannavo, Alessandro, et al.
Publicado: (2019)

First small-molecule PROTACs for G protein-coupled receptors: inducing α(1A)-adrenergic receptor degradation
por: Li, Zhenzhen, et al.
Publicado: (2020)

Engineered G-protein Coupled Receptors are Powerful Tools to Investigate Biological Processes and Behaviors
por: Nichols, Charles D., et al.
Publicado: (2009)

Generation of G protein-coupled receptor antibodies differentially sensitive to conformational states
por: Heimann, Andrea S., et al.
Publicado: (2017)

Cannot write session to /tmp/vufind_sessions/sess_68gcf1guqimm1592u2lddak78o