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MIDAS SIGNED

Predictive modelling of GPCR druggable allosteric sites

Total Cost €

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EC-Contrib. €

0

Partnership

0

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 MIDAS project word cloud

Explore the words cloud of the MIDAS project. It provides you a very rough idea of what is the project "MIDAS" about.

health    midas    envisions    mapping    toxic    prescription    safer    modulated    selective    helices    computational    search    outcome    m2    genome    denaturation    extracellular    technologies    action    ray    druggable    allosteric    p2y    receptors    probe    complexed    intensive    class    modulators    retrospective    aided    gcgr    membrane    abss    industry    lipids    explore    scientific    structures    structure    acting    coupled    gpcrs    computer    collaborative    largely    m3    sampling    cutting    ligands    proteins    prospective    sites    protocols    screening    enhanced    date    cosolvent    simulation    researcher    gpcr    whom    crf1    methodology    opipid    academia    edge    distortion    throughput    skills    intracellular    limitations    time    small    molecule    firstly    molecular    protein    binding    experts    human    ccr5    opens    micro    consuming    expand    crystal    biological    identification    union    successful    release    transferable    orthosteric    dynamics    compounds    drugs    discovery    interface   

Project "MIDAS" data sheet

The following table provides information about the project.

Coordinator
THE QUEEN'S UNIVERSITY OF BELFAST 

Organization address
address: UNIVERSITY ROAD LANYON BUILDING
city: BELFAST
postcode: BT7 1NN
website: www.qub.ac.uk

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country United Kingdom [UK]
 Project website https://pure.qub.ac.uk/portal/en/persons/irina-tikhonova
 Total cost 195˙454 €
 EC max contribution 195˙454 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2016
 Funding Scheme MSCA-IF-EF-RI
 Starting year 2017
 Duration (year-month-day) from 2017-11-01   to  2019-10-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    THE QUEEN'S UNIVERSITY OF BELFAST UK (BELFAST) coordinator 195˙454.00

Map

 Project objective

G protein coupled-receptors (GPCRs) are the most successful class of druggable targets in the human genome with an estimated 30 to 60 % of prescription drugs in European Union. GPCRs biological state can be modulated by small molecule ligands acting on spatially distinct allosteric binding sites (ABSs) that result more selective and less toxic than drugs binding to orthosteric sites. The discovery of lead compounds targeting ABSs is challenging and to date has largely been achieved through cost-intensive and time-consuming high-throughput screening. The recent release of X-ray structures of GPCRs in the complex with allosteric modulators opens new opportunities to develop structure-based computer aided methodologies to identify ABSs. MIDAS will aim to develop a computational methodology for the search of GPCR ABSs that will include cutting-edge enhanced sampling molecular dynamics simulation methods in cosolvent mapping. The action will solve several current limitations in cosolvent mapping: probe non-specific binding, protein denaturation, low probe sampling, and membrane distortion. MIDAS firstly develop the methodology in retrospective studies, aiming to identify ABSs in the M2, CRF1, P2Y and GCGR receptors for whom crystal structures complexed with allosteric modulators are available. The computational procedures will be developed for identification of extracellular and intracellular ABSs and ABSs at the interface between GPCR helices and lipids. Next, MIDAS will explore the developed protocols in prospective studies using the M3, µ-opipid and CCR5 receptors with available X-ray structures and known ligands. The action envisions the collaboration with experts from both academia and industry and is set to expand scientific, transferable and collaborative skills of the Experience Researcher. The outcome of the action will foster the development of novel health technologies for the discovery of safer drugs targeting membrane proteins.

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The information about "MIDAS" are provided by the European Opendata Portal: CORDIS opendata.

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