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CHITIN DEACETYLASE INHIBITORS AND USE THEREOF AS AGRICULTURAL FUNGICIDES, ARTHOPOCIDES AND NEMATICIDES
WO20234497
The invention relates to a method for identifying a compound with potential pesticide activity against an organism containing chitin, the compound being an inhibitor of chitin deacetylase (CDA). The method comprises cheminformatics and experimental approximations that include molecular topology equations to examine the experimental chemical and analysis databases of the identified compounds to test their activities as pesticides. More specifically, the invention relates to the experimental analysis of a set of 20 compounds and their use as fungicides, arthopocides and/or nematicides. In addition, the specificity of these compounds as CDA inhibitors was confirmed using enzyme inhibition testing and docking. The method of the invention is useful for identifying CDA inhibitors useful as agricultural fungicides or for controlling other pests such as insects or nematodes that are harmful for crops and/or mammals.
It involves the identification of new chemical compounds with the potential to be used as fungicides in agriculture and also to be used for the control of harmful arthropods and pathogenic nematodes. Furthermore, they are compounds with a novel mechanism of action, that is, by inhibiting the enzyme chitin deacetylase, against which there should be no resistance, for example, in phytopathogenic fungi. In addition, compared to the latter, they do not have a direct toxic effect, but allow the activation of the immune defense of the plant. On the contrary, against insect larvae and nematodes they do have a biocidal effect. The present invention belongs fundamentally to the agricultural sector, and more specifically to the agrochemical industries, since it provides potential plant protection tools against harmful phytopathogenic fungi and nematodes and arthropods. Another sector of interest could be animal and human health (veterinary and pharmaceutical industries), since nematicidal and arthropocidal preparations could be prepared from the patent compounds.