Rational Design of a Potential New Nematicide Targeting Chitin Deacetylase.

ABSTRACT: 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 Caenorhabditis elegans. These experimental results made it possible to develop two new molecular topology-based QSAR algorithms for the rational design of potential nematicides with CDA inhibitor act

SUBMITTER: Galvez-Llompart M 

PROVIDER: S-EPMC10853968 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature