Evidence map›Paper›PMID 36077146›Full record

ArticleInternational journal of molecular sciences2022

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

Elias Dahdouh, Lisa Allander, Linda Falgenhauer, Bogdan I Iorga, Stefano Lorenzetti, Íñigo Marcos-Alcalde, Nathaniel I Martin, Luis Martínez-Martínez, Jesús Mingorance, Thierry Naas and 4 more

Abstract read
In one paragraph

Article in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

14 authors.

Elias DahdouhClinical Microbiology and Parasitology Department, Instituto de Investigación Sanitaria del Hospital, Universitario La Paz (IdiPAZ), 28046 Madrid, Spain.
Lisa AllanderDepartment of Medical Sciences, Uppsala University, 752 36 Uppsala, Sweden.
Linda FalgenhauerInstitute of Hygiene and Environmental Medicine, Justus Liebig University Giessen, 35392 Giessen, Germany.
Bogdan I IorgaInstitut de Chimie des Substances Naturelles (ICSN), CNRS UPR 2301, Université Paris-Saclay, 91190 Gif-sur-Yvette, France.ORCID 0000-0003-0392-1350
Stefano LorenzettiDepartment of Food Safety, Nutrition and Veterinary Public Health, Istituto Superiore di Sanità (ISS), 00161 Rome, Italy.ORCID 0000-0001-5358-8002
Íñigo Marcos-AlcaldeMolecular Modeling Group, Centro de Biología Molecular Severo Ochoa (CBMSO, CSIC-UAM), 28049 Madrid, Spain.ORCID 0000-0002-0674-6423
Nathaniel I MartinBiological Chemistry Group, Institute of Biology Leiden (IBL), Leiden University, Sylviusweg 72, 2333 BE Leiden, The Netherlands.
Luis Martínez-MartínezUnit of Microbiology, University Hospital Reina Sofía, 14004 Córdoba, Spain.
Jesús MingoranceClinical Microbiology and Parasitology Department, Instituto de Investigación Sanitaria del Hospital, Universitario La Paz (IdiPAZ), 28046 Madrid, Spain.
Thierry NaasDepartment of Microbiology, Hôpital de Bicêtre, Université Paris-Saclay, 91190 Gif-sur-Yvette, France.ORCID 0000-0001-9937-9572
Joseph E RubinDepartment of Veterinary Microbiology, University of Saskatchewan at Saskatoon, Saskatoon, SK S7N 5A2, Canada.
Francesca SpyrakisDepartment of Drug Science and Technology, University of Turin, 10125 Torino, Italy.ORCID 0000-0002-4016-227X
Thomas TängdénDepartment of Medical Sciences, Uppsala University, 752 36 Uppsala, Sweden.
Paulino Gómez-PuertasMolecular Modeling Group, Centro de Biología Molecular Severo Ochoa (CBMSO, CSIC-UAM), 28049 Madrid, Spain.ORCID 0000-0003-3131-729X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

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.

Indexed as

beta-LactamasesComputational BiologyBacterial ProteinsComputer SimulationBacterial Proteinsbeta-Lactamasescarbapenemaseapproach rationalizationinhibitors of carbapenemasesvirtual screening

Identifiers

PMID36077146
PMCPMC9456441

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.