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CaLecLig SIGNED

Calcium-dependent Lectins in Human Pathogenic Infections: From Atomistic Understanding to Ligand Design

Total Cost €

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EC-Contrib. €

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Partnership

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 CaLecLig project word cloud

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

md    career    create    receptors    energy    economy    dozen    predicting    itc    calcium    mechanical    glycomimetics    qm    acquire    simulations    bacterial    patentable    cystic    dynamics    fitting    progress    crystallography    enforce    tetramer    leverage    proteins    modern    mediating    calorimetry    training    nmr    lectin    patients    prospects    complexes    interpret    data    view    implicated    fundamental    diabetes    transfer    conversely    fibrosis    remarkable    drugs    experimental    lectins    sign    glycoscience    society    isothermal    types    pathogen    techniques    protocol    multivalent    competences    binding    respectively    pharmaceutical    dynamic    free    dependent    envelope    enormous    infections    diseases    neutron    industry    drug    tamiflu    flexible    model    gap    re    producing    bind    cope    devastating    dc    microscopic    quantum    saccharides    cell    multidisciplinary    affinities    adhesion    modes    practical    verified    molecular    glycomimetic    teaching    ca2    had    successful    saxs    titration    host    complementarity    gained    he    ebola    cancer    hiv    computational    fill    deep    calculations    workflows    ligand    multimeric    interactions    ligands    leca    viral   

Project "CaLecLig" data sheet

The following table provides information about the project.

Coordinator
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS 

Organization address
address: RUE MICHEL ANGE 3
city: PARIS
postcode: 75794
website: www.cnrs.fr

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 France [FR]
 Total cost 185˙076 €
 EC max contribution 185˙076 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2017
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2018
 Duration (year-month-day) from 2018-06-01   to  2020-05-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS FR (PARIS) coordinator 185˙076.00

Map

 Project objective

Lectins are proteins that bind saccharides, thus mediating cell-cell and cell-pathogen adhesion. They are therefore implicated in many devastating diseases (cancer, diabetes). The pharmaceutical industry had to leverage the remarkable progress in modern methodologies to cope with the enormous challenges of targeting lectins (flexible interactions involving calcium, multivalent ligands/multimeric receptors), producing a dozen of successful glycomimetic drugs (e.g. Tamiflu). To develop workflows comparable to traditional drug/target complexes, however, deep knowledge of lectin/ligand interactions must be gained. This project aims to fill this gap by determining the properties of Ca2-dependent lectins, LecA/B and DC-SIGN, implicated in bacterial infections of cystic fibrosis patients and viral infections (HIV-1, Ebola), respectively. We will establish the microscopic view of Ca2 binding to these lectins using advanced molecular dynamics (MD), verified by quantum mechanical (QM) calculations, isothermal titration calorimetry (ITC) and neutron crystallography. Then, we will work out protocol for predicting lectin-ligand binding modes and affinities using free-energy simulations, verified by NMR data. Finally, we will create a dynamic model of DC-SIGN tetramer by fitting to SAXS envelope and interpret multivalent binding types. The proposed project is novel and multidisciplinary. The applicant will acquire training in advanced experimental and computational techniques, which will re-enforce his career prospects in research and teaching. Conversely, he will transfer his knowledge of QM calculations to the host and partner institutions. This unique complementarity of competences will bring fundamental and practical understanding of lectin-ligand binding which will advance glycoscience research and industry. Future design of new patentable glycomimetics will impact Europe’s economy and society.

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

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