Evidence map›Paper›PMID 27710942›Full record

ArticleActa crystallographica. Section F, Structural biology communications2016

Crystal structure of rofecoxib bound to human cyclooxygenase-2.

Benjamin J Orlando, Michael G Malkowski

Open access · bronzeAbstract read
In one paragraph

Article in Acta crystallographica. Section F, Structural biology communications, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 70 papers.

0numbers the graph read from it
0cells of the map it votes in
70citing papers in PubMed
8.0field-weighted citation impact, top 2% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

70 citing papers in PubMed, 177 citations in OpenAlex.

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10 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors at 1 institution in 1 country.

Benjamin J OrlandoDepartment of Structural Biology, The State University of New York at Buffalo and the Hauptman-Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203, USA.
Michael G MalkowskiDepartment of Structural Biology, The State University of New York at Buffalo and the Hauptman-Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203, USA.
Hauptman-Woodward Medical Research Institute · US

Funding

Structural Biology of Oxylipin BiosynthesisR01GM077176 · NIGMS · HAUPTMAN-WOODWARD MEDICAL RESEARCH INST · PI MALKOWSKI, MICHAEL G · 2007 to 2011
$1.8M
Structure and Dynamics of Cyclooxygenase Catalysis and InhibitionR01GM115386 · NIGMS · STATE UNIVERSITY OF NEW YORK AT BUFFALO · PI MALKOWSKI, MICHAEL G · 2015 to 2018
$1.5M
NIGMS NIH HHS R01 GM077176NIGMS NIH HHS R01 GM115386
6 · The paper itself

Abstract

Rofecoxib (Vioxx) was one of the first selective cyclooxygenase-2 (COX-2) inhibitors (coxibs) to be approved for use in humans. Within five years after its release to the public, Vioxx was withdrawn from the market owing to the adverse cardiovascular effects of the drug. Despite the widespread knowledge of the development and withdrawal of Vioxx, relatively little is known at the molecular level about how the inhibitor binds to COX-2. Vioxx is unique in that the inhibitor contains a methyl sulfone moiety in place of the sulfonamide moiety found in other coxibs such as celecoxib and valdecoxib. Here, new crystallization conditions were identified that allowed the structural determination of human COX-2 in complex with Vioxx and the structure was subsequently determined to 2.7 Å resolution. The crystal structure provides the first atomic level details of the binding of Vioxx to COX-2. As anticipated, Vioxx binds with its methyl sulfone moiety located in the side pocket of the cyclooxygenase channel, providing support for the isoform selectivity of this drug.

Indexed as

Amino Acid MotifsBinding SitesCelecoxibCrystallography, X-RayCyclooxygenase 2Cyclooxygenase 2 InhibitorsGene ExpressionHumansKineticsLactonesModels, MolecularProtein BindingProtein Conformation, alpha-HelicalProtein Conformation, beta-StrandProtein Interaction Domains and MotifsRecombinant ProteinsCelecoxibCyclooxygenase 2Cyclooxygenase 2 InhibitorsLactonesPTGS2 protein, humanRecombinant ProteinsrofecoxibSulfonescrystal structurecyclooxygenasenonsteroidal anti-inflammatory drugsrofecoxibVioxx

Identifiers

PMID27710942
PMCPMC5053162
OpenAlexW2521444171

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.