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Potential molecular mechanism of reuterin on the inhibition of Aspergillus flavus conidial germination: An in silico study.
Purnawita, Widiati; Rahayu, Winiati Pudji; Lioe, Hanifah Nuryani; Nurjanah, Siti; Wahyudi, Setyanto Tri.
Afiliación
  • Purnawita W; Department of Food Science and Technology, Faculty of Agricultural Engineering and Technology, IPB University (Bogor Agricultural University), Bogor, Indonesia.
  • Rahayu WP; Department of Food Science and Technology, Faculty of Agricultural Engineering and Technology, IPB University (Bogor Agricultural University), Bogor, Indonesia.
  • Lioe HN; Southeast Asian Food and Agricultural Science and Technology (SEAFAST) Center, IPB University (Bogor Agricultural University), Bogor, Indonesia.
  • Nurjanah S; Department of Food Science and Technology, Faculty of Agricultural Engineering and Technology, IPB University (Bogor Agricultural University), Bogor, Indonesia.
  • Wahyudi ST; Southeast Asian Food and Agricultural Science and Technology (SEAFAST) Center, IPB University (Bogor Agricultural University), Bogor, Indonesia.
J Food Sci ; 89(2): 1167-1186, 2024 Feb.
Article en En | MEDLINE | ID: mdl-38193164
ABSTRACT
Reuterin is a natural antifungal agent derived from certain strains of Limosilactobacillus reuteri. Our previous study revealed that 6 mM reuterin inhibited completely the conidial germination of aflatoxigenic Aspergillus flavus. This study investigated the potential molecular mechanism of reuterin in inhibiting A. flavus conidial germination, which was pre-assumed that it correlated to the inhibition of some essential enzyme activity involved in conidial germination, specifically 1,3-ß-glucan synthase, chitin synthase, and catalases (catalase, bifunctional catalase-peroxidase, and spore-specific catalase). The complex of 1,3-ß-glucan synthase and chitin synthase with reuterin had a lower binding affinity than that with the substrate. Conversely, the complex of catalases with reuterin had a higher binding affinity than that with the substrate. It was suggested that 1,3-ß-glucan synthase and chitin synthase tended to bind the substrate rather than bind reuterin. In contrast, catalases tended to bind reuterin rather than bind the substrate. Therefore, reuterin could be a potential inhibitor of catalases but may not be an inhibitor of 1,3-ß-glucan synthase and chitin synthase. In this in silico study, we predicted that the potential molecular mechanism of reuterin in inhibiting A. flavus conidial germination was due to the inhibition of catalases activities by competitively binding to the enzymes active sites, thus resulting in the accumulation of reactive oxygen species in cells, leading to cells damage. PRACTICAL APPLICATION This in silico study revealed that reuterin is a potential inhibitor of catalases in A. flavus, thereby interfering with the antioxidant system during conidial germination. This finding shows that reuterin can be used as an antifungal agent in food or agricultural products, inhibiting conidial germination completely.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Propano / Aspergillus flavus / Beta-Glucanos / Gliceraldehído Tipo de estudio: Prognostic_studies Idioma: En Revista: J Food Sci Año: 2024 Tipo del documento: Article País de afiliación: Indonesia Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Propano / Aspergillus flavus / Beta-Glucanos / Gliceraldehído Tipo de estudio: Prognostic_studies Idioma: En Revista: J Food Sci Año: 2024 Tipo del documento: Article País de afiliación: Indonesia Pais de publicación: Estados Unidos