Project description
Thermodynamics measurements at the atomic level
Molecular interactions between large and small molecules, such as proteins and drugs, are important for biological processes and for therapies. Molecular interactions are driven by the strength of the bonds formed between molecules (enthalpy) and the possible ways in which the molecules can interact (entropy). Funded by the European Research Council, the CLAR project aims to develop a new nuclear magnetic resonance (NMR) spectroscopy approach to measure thermodynamics within molecules and molecular complexes at atomic resolution. This method will help unveil the mechanisms underlying molecular function at the atomic level and is expected to find applications in drug design.
Objective
Molecular interactions are at the basis of all biological processes and often include specific interactions between macromolecules (protein, RNA, DNA) and small-molecule ligands, such as cofactors, hormones, drugs, or metabolites. Detailed and quantitative knowledge of these interactions is critical for a molecular understanding of these biological processes and developing new therapeutic solutions. A complete comprehension of molecular recognition requires a full characterization of the geometry and dynamics of the molecular complex. This includes not only the internal dynamics of each partner but also the dynamics at the interface, which to date remain mostly unexplored experimentally.
The physical chemistry frame for studying intra- and inter-molecular interactions is thermodynamics. The extent to which two molecules interact is dictated by the Gibbs energy change (G) of the interactions, which is composed of enthalpic (H) and entropic (S) terms.
X-ray crystallographic and NMR structures provide a detailed description of the static interactions associated with enthalpic contributions. However, up to now, the entropic components remain difficult to address experimentally.
The overarching goal of this proposal is to develop a calorimeter at atomic resolution.
To achieve that goal, a new NMR spectroscopy approach, relying mainly on the nuclear Overhauser effect, will be developed.
It is anticipated that quantitative thermodynamic measurements within molecules and molecular complexes will open a new avenue in the fundamental understanding of how atomistic mechanism(s) create a function.
Beyond the fundamental findings, we foresee applications in translational medicine, drug design, and computer-assisted molecular design.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- natural sciences biological sciences genetics DNA
- natural sciences biological sciences biochemistry biomolecules proteins
- natural sciences mathematics pure mathematics geometry
- natural sciences biological sciences genetics RNA
- natural sciences physical sciences optics spectroscopy
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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HORIZON.1.1 - European Research Council (ERC)
MAIN PROGRAMME
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Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-ERC - HORIZON ERC Grants
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Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) ERC-2022-COG
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Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
1010 Wien
Austria
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