A synergism of in silico and statistical approaches to discover new potential endocrine disruptor mycotoxins

Spaggiari, Giulia; Morelli, Gianluca; Riani, Marco; Cozzini, Pietro

doi:10.1016/j.taap.2021.115832

Cited by 3 publications

(3 citation statements)

References 37 publications

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“…Differences in studies may be associated with the different S -epimers and receptors used. A binding energy value of − 7 represents a ligand having affinity for a receptor [41] , and higher the negative value the stronger the binding affinity [37] , which supports the results of the present study. In a different study utilizing ergocristinine, medium to high binding affinity to certain nuclear receptors was demonstrated [41] , suggesting ergocristinine has the potential to have high affinity to receptors.…”

Section: Discussionsupporting

confidence: 90%

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Investigation of the relationship between ergocristinine and vascular receptors

2023

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Section: Discussionsupporting

confidence: 90%

“…The authors acknowledge there is a lack of S -epimer data concerning receptor binding. Another study screened multiple mycotoxins, including several R and S -epimers of ergot alkaloids, binding to nuclear receptors [41] . In each study, the S -epimer-receptor binding was not the primary focus.…”

Section: Introductionmentioning

confidence: 99%

Investigation of the relationship between ergocristinine and vascular receptors

2023

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“…14 ZEN was classified as a Group III carcinogen by the International Agency for Research on Cancer (IARC) in 1993. 15,16 However, according to previous literature, chronic ingestion of ZEN can cause multiple chronic toxic effects, including reproductive toxicity, hepatotoxicity, immunotoxicity, genotoxicity, and carcinogenicity. For example, ZEN can cause reproductive disorders in rats and pigs, cause infertility in livestock and poultry, and cause morphological changes in the reproductive organs.…”

Section: Introductionmentioning

confidence: 99%

Toxicity of zearalenone and its nutritional intervention by natural products

et al. 2022

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The C-8-S-isomers of ergot alkaloids — a review of biological and analytical aspects

Cherewyk,

Blakley,

Al-Dissi

2023

Mycotoxin Res

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Ergot alkaloids are secondary metabolites that are produced by fungi and contaminate cereal crops and grasses. The ergot alkaloids produced by Claviceps purpurea are the most abundant worldwide. The metabolites exist in two configurations, the C-8-R-isomer (R-epimer) and the C-8-S-isomer (S-epimer). These two configurations can interconvert to one another. Ergot alkaloids cause toxic effects after consumption of ergot-contaminated food and feed at various concentrations. For bioactivity reasons, the C-8-R-isomers have been studied to a greater extent than the C-8-S-isomer since the C-8-S-isomers were considered biologically inactive. However, recent studies suggest the contrary. Analytical assessment of ergot alkaloids now includes the C-8-S-isomers and high concentrations of specific C-8-S-isomers have been identified. The inclusion of the C-8-S-isomer in regulatory standards is reviewed. This review has identified that further research into the C-8-S-isomers of ergot alkaloids is warranted. In addition, the inclusion of the C-8-S-isomers into regulatory recommendations worldwide for food and feed should be implemented. The objectives of this review are to provide an overview of historic and current studies that have assessed the C-8-S-isomers. Specifically, this review will compare the C-8-R-isomers to the C-8-S-isomers with an emphasis on the biological activity and analytical assessment.

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A synergism of in silico and statistical approaches to discover new potential endocrine disruptor mycotoxins

Cited by 3 publications

References 37 publications

Investigation of the relationship between ergocristinine and vascular receptors

Investigation of the relationship between ergocristinine and vascular receptors

Toxicity of zearalenone and its nutritional intervention by natural products

The C-8-S-isomers of ergot alkaloids — a review of biological and analytical aspects

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