Evidence map›Paper›PMID 34513925›Full record

ArticleFrontiers in molecular biosciences2021

Exploring Ligand Binding to Calcitonin Gene-Related Peptide Receptors.

Giuseppe Deganutti, Silvia Atanasio, Roxana-Maria Rujan, Patrick M Sexton, Denise Wootten, Christopher A Reynolds

Open access · goldAbstract read
In one paragraph

Article in Frontiers in molecular biosciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
0.9field-weighted citation impact, top 30% 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

8 citing papers in PubMed, 18 citations in OpenAlex.

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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

6 authors at 3 institutions in 2 countries.

Giuseppe DeganuttiCentre for Sport, Exercise and Life Sciences, Coventry University, Coventry, United Kingdom.
Silvia AtanasioSchool of Life Sciences, University of Essex, Colchester, United Kingdom.
Roxana-Maria RujanCentre for Sport, Exercise and Life Sciences, Coventry University, Coventry, United Kingdom.
Patrick M SextonDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC, Australia.
Denise WoottenDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC, Australia.
Christopher A ReynoldsCentre for Sport, Exercise and Life Sciences, Coventry University, Coventry, United Kingdom.
Coventry University · GBMonash University · AUUniversity of Essex · GB

Funding

Biotechnology and Biological Sciences Research Council BB/M006883/1
6 · The paper itself

Abstract

Class B1 G protein-coupled receptors (GPCRs) are important targets for many diseases, including cancer, diabetes, and heart disease. All the approved drugs for this receptor family are peptides that mimic the endogenous activating hormones. An understanding of how agonists bind and activate class B1 GPCRs is fundamental for the development of therapeutic small molecules. We combined supervised molecular dynamics (SuMD) and classic molecular dynamics (cMD) simulations to study the binding of the calcitonin gene-related peptide (CGRP) to the CGRP receptor (CGRPR). We also evaluated the association and dissociation of the antagonist telcagepant from the extracellular domain (ECD) of CGRPR and the water network perturbation upon binding. This study, which represents the first example of dynamic docking of a class B1 GPCR peptide, delivers insights on several aspects of ligand binding to CGRPR, expanding understanding of the role of the ECD and the receptor-activity modifying protein 1 (RAMP1) on agonist selectivity.

Indexed as

bindingCGRPCGRPRGPCRmolecular dynamicssupervised molecular dynamicstelcagepant

Identifiers

PMID34513925
PMCPMC8427520
OpenAlexW3194546463

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.