Rational Design of a Potential New Nematicide Targeting Chitin Deacetylase.

Caenorhabditis elegans QSAR chitin deacetylase molecular topology nematicide

Journal

Journal of agricultural and food chemistry
ISSN: 1520-5118
Titre abrégé: J Agric Food Chem
Pays: United States
ID NLM: 0374755

Informations de publication

Date de publication:
24 Jan 2024
Historique:
medline: 24 1 2024
pubmed: 24 1 2024
entrez: 24 1 2024
Statut: aheadofprint

Résumé

In a previously published study, the authors devised a molecular topology QSAR (quantitative structure-activity relationship) approach to detect novel fungicides acting as inhibitors of chitin deacetylase (CDA). Several of the chosen compounds exhibited noteworthy activity. Due to the close relationship between chitin-related proteins present in fungi and other chitin-containing plant-parasitic species, the authors decided to test these molecules against nematodes, based on their negative impact on agriculture. From an overall of 20 fungal CDA inhibitors, six showed to be active against

Identifiants

pubmed: 38264997
doi: 10.1021/acs.jafc.3c05258
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Auteurs

Maria Galvez-Llompart (M)

Department of Preventive Medicine and Public Health, Food Science, Toxicology and Forensic Medicine, Faculty of Pharmacy, University of Valencia, Burjassot, Valencia 46100, Spain.
Molecular Topology and Drug Design Unit. Department of Physical Chemistry, University of Valencia, Burjassot, Valencia 46100, Spain.

Riccardo Zanni (R)

Molecular Topology and Drug Design Unit. Department of Physical Chemistry, University of Valencia, Burjassot, Valencia 46100, Spain.

David Vela-Corcía (D)

Department of Microbiology, Faculty of Science, Instituto de Hortofruticultura Subtropical y Mediterránea La Mayora, IHSM-UMA-CSIC, University of Málaga, Málaga 29071, Spain.

Álvaro Polonio (Á)

Department of Microbiology, Faculty of Science, Instituto de Hortofruticultura Subtropical y Mediterránea La Mayora, IHSM-UMA-CSIC, University of Málaga, Málaga 29071, Spain.

Facundo Perez-Gimenez (F)

Molecular Topology and Drug Design Unit. Department of Physical Chemistry, University of Valencia, Burjassot, Valencia 46100, Spain.

Jesús Martínez-Cruz (J)

Department of Microbiology, Faculty of Science, Instituto de Hortofruticultura Subtropical y Mediterránea La Mayora, IHSM-UMA-CSIC, University of Málaga, Málaga 29071, Spain.

Diego Romero (D)

Department of Microbiology, Faculty of Science, Instituto de Hortofruticultura Subtropical y Mediterránea La Mayora, IHSM-UMA-CSIC, University of Málaga, Málaga 29071, Spain.

Dolores Fernández-Ortuño (D)

Department of Microbiology, Faculty of Science, Instituto de Hortofruticultura Subtropical y Mediterránea La Mayora, IHSM-UMA-CSIC, University of Málaga, Málaga 29071, Spain.

Alejandro Pérez-García (A)

Department of Microbiology, Faculty of Science, Instituto de Hortofruticultura Subtropical y Mediterránea La Mayora, IHSM-UMA-CSIC, University of Málaga, Málaga 29071, Spain.

Jorge Galvez (J)

Molecular Topology and Drug Design Unit. Department of Physical Chemistry, University of Valencia, Burjassot, Valencia 46100, Spain.

Classifications MeSH