(Q36343219)

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Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening

scientific article

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening (English)

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Vsevolod Katritch

10

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

7

object named as

Ruben Abagyan

0 references

Kenneth A. Jacobson

object named as

Kenneth A Jacobson

9

0 references

3

object named as

Zhan-Guo Gao

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

1

object named as

Dilip K Tosh

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Raymond C. Stevens

8

object named as

Raymond C Stevens

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Francesca Deflorian

6

object named as

Francesca Deflorian

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

author name string

Khai Phan

2

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Andrei A Gakh

4

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Fei Xu

5

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

language of work or name

0 references

publication date

30 April 2012

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Journal of Medicinal Chemistry

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

55

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

9

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

4297-4308

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

Evaluation of molecular modeling of agonist binding in light of the crystallographic structure of an agonist-bound A₂A adenosine receptor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Diversity and modularity of G protein-coupled receptor structures

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

GPCR agonist binding revealed by modeling and crystallography

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Truncated (N)-Methanocarba Nucleosides as A(1) Adenosine Receptor Agonists and Partial Agonists: Overcoming Lack of a Recognition Element

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Crystal structure of the β2 adrenergic receptor-Gs protein complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure of the human histamine H1 receptor complex with doxepin

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Progress in structure based drug design for G protein-coupled receptors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Agonist-bound adenosine A2A receptor structures reveal common features of GPCR activation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

The use of G-protein coupled receptor models in lead optimization

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure of an agonist-bound human A2A adenosine receptor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure of a nanobody-stabilized active state of the β(2) adrenoceptor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Transmembrane signaling by GPCRs: insight from rhodopsin and opsin structures.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure based prediction of subtype-selectivity for adenosine receptor antagonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine A2A receptors and Parkinson's disease.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptors and the central nervous system.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptors and cancer.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptors and inflammation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptors and reperfusion injury of the heart

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptors and the heart: role in regulation of coronary blood flow and cardiac electrophysiology

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Introduction to adenosine receptors as therapeutic targets

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

COMU: a safer and more effective replacement for benzotriazole-based uronium coupling reagents

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure-based discovery of beta2-adrenergic receptor ligands

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Crystal structure of opsin in its G-protein-interacting conformation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure of a beta1-adrenergic G-protein-coupled receptor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structural diversity of G protein-coupled receptors and significance for drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Fluorine in pharmaceuticals: looking beyond intuition

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

GPCR agonists and antagonists in the clinic

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptors as therapeutic targets

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

A neoceptor approach to unraveling microscopic interactions between the human A2A adenosine receptor and its agonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

2-Substituted adenosine derivatives: affinity and efficacy at four subtypes of human adenosine receptors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Partial A(1) adenosine receptor agonists from a molecular perspective and their potential use as chronic ventricular rate control agents during atrial fibrillation (AF).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptor agonists: from basic medicinal chemistry to clinical development

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Anilide derivatives of an 8-phenylxanthine carboxylic congener are highly potent and selective antagonists at human A(2B) adenosine receptors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Biochemical methods for detection and measurement of cyclic AMP and adenylyl cyclase activity.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

5'-N-substituted carboxamidoadenosines as agonists for adenosine receptors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Structure-activity relationships of N6-benzyladenosine-5'-uronamides as A3-selective adenosine agonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

The clinical and pharmacological history of theophylline: first report on the bronchospasmolytic action in man by S. R. Hirsch in Frankfurt (Main) 1922.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Adenosine receptors: targets for future drugs

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Characterization of a specific adenosine receptor on human lymphocytes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

30 September 2017

Flexible protein-ligand docking by global energy optimization in internal coordinates.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

29 June 2018

Comparative pharmacology of human adenosine receptor subtypes - characterization of stably transfected receptors in CHO cells.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

29 June 2018

The RegEx trial: a randomized, double-blind, placebo- and active-controlled pilot study combining regadenoson, a selective A(2A) adenosine agonist, with low-level exercise, in patients undergoing myocardial perfusion imaging

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

Synthesis and biological activity of new potential agonists for the human adenosine A2A receptor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

New, non-adenosine, high-potency agonists for the human adenosine A2B receptor with an improved selectivity profile compared to the reference agonist N-ethylcarboxamidoadenosine

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

Structure-affinity relationships of 5'-aromatic ethers and 5'-aromatic sulfides as partial A1 adenosine agonists, potential supraventricular anti-arrhythmic agents

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

Accurate and efficient generalized born model based on solvent accessibility: derivation and application for LogP octanol/water prediction and flexible peptide docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

Modeling the adenosine receptors: comparison of the binding domains of A2A agonists and antagonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3479662

22 September 2018

A modification of a protein-binding method for rapid quantification of cAMP in cell-culture supernatants and body fluid

1 reference

https://pubmed.ncbi.nlm.nih.gov/22486652

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Use of the X-ray structure of the Beta2-adrenergic receptor for drug discovery

1 reference

https://pubmed.ncbi.nlm.nih.gov/22486652

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Adenosine receptors and asthma

1 reference

https://pubmed.ncbi.nlm.nih.gov/22486652

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JM300095S

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

13 August 2017

ResearchGate publication ID

0 references

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