Explore the words cloud of the NetMoDEzyme project. It provides you a very rough idea of what is the project "NetMoDEzyme" about.
The following table provides information about the project.
Coordinator |
UNIVERSITAT DE GIRONA
Organization address contact info |
Coordinator Country | Spain [ES] |
Project website | https://silviaosuna.wordpress.com |
Total cost | 1˙445˙587 € |
EC max contribution | 1˙445˙587 € (100%) |
Programme |
1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC)) |
Code Call | ERC-2015-STG |
Funding Scheme | ERC-STG |
Starting year | 2016 |
Duration (year-month-day) | from 2016-05-01 to 2021-04-30 |
Take a look of project's partnership.
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1 | UNIVERSITAT DE GIRONA | ES (GIRONA) | coordinator | 1˙445˙587.00 |
Billions of years of evolution have made enzymes superb catalysts capable of accelerating reactions by several orders of magnitude. The underlying physical principles of their extraordinary catalytic power still remains highly debated, which makes the alteration of natural enzyme activities towards synthetically useful targets a tremendous challenge for modern chemical biology. The routine design of enzymes will, however, have large socio-economic benefits, as because of the enzymatic advantages the production costs of many drugs will be reduced and will allow industries to use environmentally friendly alternatives. The goal of this project is to make the routine design of proficient enzymes possible. Current computational and experimental approaches are able to confer natural enzymes new functionalities but are economically unviable and the catalytic efficiencies lag far behind their natural counterparts. The groundbreaking nature of NetMoDEzyme relies on the application of network models to reduce the complexity of the enzyme design paradigm and completely reformulate previous computational design approaches. The new protocol proposed accurately characterizes the enzyme conformational dynamics and customizes the included mutations by exploiting the correlated movement of the enzyme active site residues with distal regions. The guidelines for mutation are withdrawn from the costly directed evolution experimental technique, and the most proficient enzymes are easily identified via chemoinformatic models. The new strategy will be applied to develop proficient enzymes for the synthesis of enantiomerically pure β-blocker drugs for treating cardiovascular problems at a reduced cost. The experimental assays of our computational predictions will finally elucidate the potential of this genuinely new approach for mimicking Nature’s rules of evolution.
year | authors and title | journal | last update |
---|---|---|---|
2017 |
Miguel A. Maria-Solano, Adrian Romero-Rivera, SÃlvia Osuna Exploring the reversal of enantioselectivity on a zinc-dependent alcohol dehydrogenase published pages: 4122-4129, ISSN: 1477-0520, DOI: 10.1039/c7ob00482f |
Organic & Biomolecular Chemistry 15/19 | 2020-04-06 |
2017 |
Guangyue Li, Miguel A. Maria-Solano, Adrian Romero-Rivera, SÃlvia Osuna, Manfred T. Reetz Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution published pages: 9454-9457, ISSN: 1359-7345, DOI: 10.1039/C7CC05377K |
Chemical Communications 53/68 | 2020-04-06 |
2017 |
Eila Serrano-Hervás, Marc Garcia-Borrà s, SÃlvia Osuna Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium published pages: 8827-8835, ISSN: 1477-0520, DOI: 10.1039/C7OB01847A |
Organic & Biomolecular Chemistry 15/41 | 2020-04-06 |
2017 |
Adrian Romero-Rivera, Marc Garcia-Borrà s, SÃlvia Osuna Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity published pages: 8524-8532, ISSN: 2155-5435, DOI: 10.1021/acscatal.7b02954 |
ACS Catalysis 7/12 | 2020-04-06 |
2019 |
Christian Curado-Carballada, Ferran Feixas, Javier Iglesias-Fernández, SÃlvia Osuna Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency published pages: 3097-3101, ISSN: 1433-7851, DOI: 10.1002/anie.201812532 |
Angewandte Chemie International Edition 58/10 | 2020-04-06 |
2018 |
Miguel A. Maria-Solano, Eila Serrano-Hervás, Adrian Romero-Rivera, Javier Iglesias-Fernández, SÃlvia Osuna Role of conformational dynamics in the evolution of novel enzyme function published pages: 6622-6634, ISSN: 1359-7345, DOI: 10.1039/c8cc02426j |
Chemical Communications 54/50 | 2020-04-06 |
2018 |
Eila Serrano-Hervás, Guillem Casadevall, Marc Garcia-Borrà s, Ferran Feixas, SÃlvia Osuna Epoxide Hydrolase Conformational Heterogeneity for the Resolution of Bulky Pharmacologically Relevant Epoxide Substrates published pages: 12254-12258, ISSN: 0947-6539, DOI: 10.1002/chem.201801068 |
Chemistry - A European Journal 24/47 | 2020-04-06 |
2017 |
Adrian Romero-Rivera, Marc Garcia-Borrà s, SÃlvia Osuna Computational tools for the evaluation of laboratory-engineered biocatalysts published pages: 284-297, ISSN: 1359-7345, DOI: 10.1039/C6CC06055B |
Chem. Commun. 53/2 | 2020-04-06 |
2018 |
Miguel A. Maria-Solano, Eila Serrano-Hervás, Adrian Romero-Rivera, Javier Iglesias-Fernández, SÃlvia Osuna Role of conformational dynamics in the evolution of novel enzyme function published pages: 6622-6634, ISSN: 1359-7345, DOI: 10.1039/c8cc02426j |
Chemical Communications 54/50 | 2020-04-06 |
2018 |
Eila Serrano-Hervás, Guillem Casadevall, Marc Garcia-Borrà s, Ferran Feixas, SÃlvia Osuna Epoxide Hydrolase Conformational Heterogeneity for the Resolution of Bulky Pharmacologically Relevant Epoxide Substrates published pages: 12254-12258, ISSN: 0947-6539, DOI: 10.1002/chem.201801068 |
Chemistry - A European Journal 24/47 | 2020-04-06 |
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The information about "NETMODEZYME" are provided by the European Opendata Portal: CORDIS opendata.
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