(Q33777769)

29 July 2017

title

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition (English)

1 reference

29 July 2017

Vittorio Limongelli

1

0 references

Luciana Marinelli

Luciana Marinelli

3

0 references

Francesco Luigi Gervasio

Francesco Luigi Gervasio

4

0 references

Ettore Novellino

Ettore Novellino

6

0 references

Michele Parrinello

7

Michele Parrinello

1 reference

29 July 2017

Massimiliano Bonomi

2

1 reference

29 July 2017

Andrea Cavalli

5

1 reference

29 July 2017

language of work or name

English

0 references

publication date

9 March 2010

1 reference

Proceedings of the National Academy of Sciences of the United States of America

29 July 2017

published in

1 reference

29 July 2017

volume

107

1 reference

29 July 2017

issue

12

1 reference

29 July 2017

page(s)

5411-5416

1 reference

Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1

29 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Differential sensitivity and mechanism of inhibition of COX-2 oxygenation of arachidonic acid and 2-arachidonoylglycerol by ibuprofen and mefenamic acid

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Aspirin and non-steroidal anti-inflammatory drugs for cancer prevention: an international consensus statement

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Risk of myocardial infarction associated with selective COX-2 inhibitors: meta-analysis of randomised controlled trials.

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

A semiempirical free energy force field with charge-based desolvation

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Do selective cyclo-oxygenase-2 inhibitors and traditional non-steroidal anti-inflammatory drugs increase the risk of atherothrombosis? Meta-analysis of randomised trials

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Partnering between monomers of cyclooxygenase-2 homodimers

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Coxibs and cardiovascular side-effects: from light to shadow.

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Scalable molecular dynamics with NAMD

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Flexible docking in solution using metadynamics

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Withdrawal of rofecoxib (Vioxx): what about cardiovascular safety of COX-2 selective non-steroidal anti-inflammatory drugs?

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Escaping free-energy minima

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

A three-step kinetic mechanism for selective inhibition of cyclo-oxygenase-2 by diarylheterocyclic inhibitors

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Flexibility of the NSAID binding site in the structure of human cyclooxygenase-2

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

VMD: visual molecular dynamics

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

The X-ray crystal structure of the membrane protein prostaglandin H2 synthase-1

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

Mechanism of selective inhibition of the inducible isoform of prostaglandin G/H synthase

4 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2851773

The dynamics of prostaglandin H synthases. Studies with prostaglandin h synthase 2 Y355F unmask mechanisms of time-dependent inhibition and allosteric activation

4 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

From A to B in free energy space.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

The unfolded ensemble and folding mechanism of the C-terminal GB1 beta-hairpin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

Exploring complex protein-ligand recognition mechanisms with coarse metadynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site?

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

A single amino acid difference between cyclooxygenase-1 (COX-1) and -2 (COX-2) reverses the selectivity of COX-2 specific inhibitors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0913377107

Fluorescence quenching analysis of the association and dissociation of a diarylheterocycle to cyclooxygenase-1 and cyclooxygenase-2: dynamic basis of cyclooxygenase-2 selectivity

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20215464

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.0913377107

1 reference

29 July 2017

0 references

1 reference

29 July 2017

1 reference