Titre :

In silico assessment of human health risks caused by cyanotoxins from cyanobacteria

Auteur(s) :

Hong, J. F. [Auteur]
Ouddane, Baghdad [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516
Hwang, J. S. [Auteur]
Dahms, H. U. [Auteur]

Titre de la revue :

Biocell

Nom court de la revue :

Biocell

Numéro :

45

Pagination :

-

Date de publication :

2021-03-13

ISSN :

0327-9545

Mot(s)-clé(s) en anglais :

Cyanotoxins
Predictive model
Molinspiration
Bioactivity score
hERG blocker
Carcinogenicity

Discipline(s) HAL :

Chimie
Sciences de l'environnement
Sciences de l'ingénieur [physics]
Sciences du Vivant [q-bio]

Résumé en anglais : [en]

Harmful algal blooms (HABs) that are formed by cyanobacteria have become a serious issue worldwide in recent years. Cyanobacteria can release a type of secondary metabolites called cyanotoxins into aquatic systems which ...
Lire la suite >Harmful algal blooms (HABs) that are formed by cyanobacteria have become a serious issue worldwide in recent years. Cyanobacteria can release a type of secondary metabolites called cyanotoxins into aquatic systems which may indirectly or directly provide health risks to the environment and humans. Cyanotoxins provide some of the most powerful natural poisons including potent neurotoxins, hepatotoxins, cytotoxins, and endotoxins that may result in environmental health risks, and long-term morbidity and mortality to animals and humans. In this research, we used the chemcomputational tool Molinspiration for molecular property predictions, Pred-hERG 4.2 web software for cardiac toxicity prediction, and Pred-Skin 2.0 web software for predicting skin sensitization. We are predicting some toxicological aspects of cyanobacteria here using chemcomputational tools with the hypothesis that cyanotoxins are providing a risk to human health. We are using the tool Pred-hERG 4.2 to predict hERG channel blocking potential and the Pred-skin tool to predict skin sensitization due to cyanotoxins. The potential of anatoxin, ambigol, the microcystin group, and lyngbyatoxin A, lyngbyatoxin B, nodularin-R, and saxitoxin were predicted to cause skin sensitization in the final results (consensus model). Anatoxin-a and lyngbyatoxin were predicted to allow GI absorption and blood–brain barrier penetration. Among the 20 predicted cyanotoxins only aeruginosin 103-A, ambigol A, and ambigol were predicted by Pred-hERG 4.2 according to the applicability domain results as potential cardiotoxins with weak or moderate potency. Lyngbyatoxin shows activity through the GPCR ligand and protease, kinase, and enzyme inhibitor.Lire moins >

Langue :

Anglais

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS

Collections :

• Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Date de dépôt :

2024-02-28T23:28:20Z
2024-03-18T13:29:46Z