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Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network

The EPIC consortium brings together experts from a wide range of fields that include clinical, molecular and basic microbiology, infectious diseases, computational biology and chemistry, drug discovery and design, bioinformatics, biochemistry, biophysics, pharmacology, toxicology, veterinary science...

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Detalles Bibliográficos
Autores principales: Dahdouh, Elias, Allander, Lisa, Falgenhauer, Linda, Iorga, Bogdan I., Lorenzetti, Stefano, Marcos-Alcalde, Íñigo, Martin, Nathaniel I., Martínez-Martínez, Luis, Mingorance, Jesús, Naas, Thierry, Rubin, Joseph E., Spyrakis, Francesca, Tängdén, Thomas, Gómez-Puertas, Paulino
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9456441/
https://www.ncbi.nlm.nih.gov/pubmed/36077146
http://dx.doi.org/10.3390/ijms23179746
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author Dahdouh, Elias
Allander, Lisa
Falgenhauer, Linda
Iorga, Bogdan I.
Lorenzetti, Stefano
Marcos-Alcalde, Íñigo
Martin, Nathaniel I.
Martínez-Martínez, Luis
Mingorance, Jesús
Naas, Thierry
Rubin, Joseph E.
Spyrakis, Francesca
Tängdén, Thomas
Gómez-Puertas, Paulino
author_facet Dahdouh, Elias
Allander, Lisa
Falgenhauer, Linda
Iorga, Bogdan I.
Lorenzetti, Stefano
Marcos-Alcalde, Íñigo
Martin, Nathaniel I.
Martínez-Martínez, Luis
Mingorance, Jesús
Naas, Thierry
Rubin, Joseph E.
Spyrakis, Francesca
Tängdén, Thomas
Gómez-Puertas, Paulino
author_sort Dahdouh, Elias
collection PubMed
description The EPIC consortium brings together experts from a wide range of fields that include clinical, molecular and basic microbiology, infectious diseases, computational biology and chemistry, drug discovery and design, bioinformatics, biochemistry, biophysics, pharmacology, toxicology, veterinary sciences, environmental sciences, and epidemiology. The main question to be answered by the EPIC alliance is the following: “What is the best approach for data mining on carbapenemase inhibitors and how to translate this data into experiments?” From this forum, we propose that the scientific community think up new strategies to be followed for the discovery of new carbapenemase inhibitors, so that this process is efficient and capable of providing results in the shortest possible time and within acceptable time and economic costs.
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spelling pubmed-94564412022-09-09 Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network Dahdouh, Elias Allander, Lisa Falgenhauer, Linda Iorga, Bogdan I. Lorenzetti, Stefano Marcos-Alcalde, Íñigo Martin, Nathaniel I. Martínez-Martínez, Luis Mingorance, Jesús Naas, Thierry Rubin, Joseph E. Spyrakis, Francesca Tängdén, Thomas Gómez-Puertas, Paulino Int J Mol Sci Commentary The EPIC consortium brings together experts from a wide range of fields that include clinical, molecular and basic microbiology, infectious diseases, computational biology and chemistry, drug discovery and design, bioinformatics, biochemistry, biophysics, pharmacology, toxicology, veterinary sciences, environmental sciences, and epidemiology. The main question to be answered by the EPIC alliance is the following: “What is the best approach for data mining on carbapenemase inhibitors and how to translate this data into experiments?” From this forum, we propose that the scientific community think up new strategies to be followed for the discovery of new carbapenemase inhibitors, so that this process is efficient and capable of providing results in the shortest possible time and within acceptable time and economic costs. MDPI 2022-08-28 /pmc/articles/PMC9456441/ /pubmed/36077146 http://dx.doi.org/10.3390/ijms23179746 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Commentary
Dahdouh, Elias
Allander, Lisa
Falgenhauer, Linda
Iorga, Bogdan I.
Lorenzetti, Stefano
Marcos-Alcalde, Íñigo
Martin, Nathaniel I.
Martínez-Martínez, Luis
Mingorance, Jesús
Naas, Thierry
Rubin, Joseph E.
Spyrakis, Francesca
Tängdén, Thomas
Gómez-Puertas, Paulino
Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
title Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
title_full Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
title_fullStr Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
title_full_unstemmed Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
title_short Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
title_sort computational modeling and design of new inhibitors of carbapenemases: a discussion from the epic alliance network
topic Commentary
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9456441/
https://www.ncbi.nlm.nih.gov/pubmed/36077146
http://dx.doi.org/10.3390/ijms23179746
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