Natural and Natural-like Phenolic Inhibitors of Type B Trichotecene In Vitro Production by the Wheat (Triticum sp.) Pathogen Fusarium Culmorum:In Silico Prediction and in Vitro Assays
| العنوان: | Natural and Natural-like Phenolic Inhibitors of Type B Trichotecene In Vitro Production by the Wheat (Triticum sp.) Pathogen Fusarium Culmorum:In Silico Prediction and in Vitro Assays |
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| المؤلفون: | G. Pani, B. Scherm, E. Azara, V. Balmas, Z. Jahanshiri, P. Carta, D. Fabbri, M.A. Dettori, A.Fadda, A. Dessì, R. Dallocchio, Q. Migheli, G. Delogu |
| المصدر: | Workshop: "Nutraceutici e alimenti funzionali: ricerca, produzione, sicurezza e consumo consapevole" CNR, Bologna, 21/10/2016 info:cnr-pdr/source/autori:G. Pani, B. Scherm, E. Azara, V. Balmas, Z. Jahanshiri, P. Carta, D. Fabbri, M.A. Dettori, A.Fadda, A. Dessì, R. Dallocchio, Q. Migheli, G. Delogu/congresso_nome:Workshop: "Nutraceutici e alimenti funzionali: ricerca, produzione, sicurezza e consumo consapevole" CNR/congresso_luogo:Bologna/congresso_data:21%2F10%2F2016/anno:2016/pagina_da:/pagina_a:/intervallo_pagine |
| سنة النشر: | 2016 |
| مصطلحات موضوعية: | TRI5 Fusarium culmorum Molecular modeling |
| الوصف: | The long-term goal of our project is to develop natural or natural-like phenolic compounds as effective, environmentally-friendly alternatives to synthetic fungicides against Fusarium culmorum, a fungal pathogen of small grain cereals that produces 4- deoxynivalenol and its acetylated derivatives that may cause toxicoses on humans or animals consuming contaminated food or feed. Natural and natural-like compounds belonging to phenol and hydroxylated biphenyl structural classes were tested in vitro to determine their activity on vegetative growth and trichothecene biosynthesis by F. culmorum. Most of the compounds tested at 1.5 or 1.0 mM reduced 3-acetyl-4-deoxynivalenol production by over 70% compared to the control, without affecting fungal growth significantly. Magnolol 27 showed fungicidal activity even at 0.1 mM. A guaiacyl unit in the structure may play a key role in trichothecene inhibition. A computational study was applied to explore and validate key interactions between the natural and natural-like phenols with the F. culmorum TRI5 model. Docking data confirmed results obtained from in vitro assays with the collection of phenols, whose lipophilicity and H-bonding capacity were postulated as key factors in the selection of a good trichothecene inhibitor. An important role might be played by the molecular size, which governs the ability of the ligand to interact with different amino acids at the same time. It has to be born in mind that the modelling approach provides only an estimation of protein-ligand interaction, as it does not take into consideration a wide range of interfering factors (e.g., concentration, interactions with other proteins, interactions with water molecules, delivery system, membrane permeability, biocompatibility and bioavailability). Nonetheless, the TRI5-ligand interactions highlighted in our study, shall provide an additional tool to discover new molecules with potential as fungicides or as trichothecene inhibitors, and will guide the synthesis of novel Fusarium-targeted compounds by shortening the time of research and by reducing cost. Field testing is now being carried out with selected molecules in order to evaluate their efficacy in reducing FHB symptoms in durum wheat as well as trichothecene contamination in harvested grain. |
| اللغة: | English |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=cnr_________::70db961961258e6ce41ed900bd5cd631 http://www.cnr.it/prodotto/i/360645 |
| رقم الأكسشن: | edsair.cnr...........70db961961258e6ce41ed900bd5cd631 |
| قاعدة البيانات: | OpenAIRE |
| الوصف غير متاح. |