Searching for Novel Targets to Control Wheat Head Blight Disease—I-Protein Identification, 3D Modeling and Virtual Screening

Martins, N. F.; Bresso, Emmanuel; Togawa, Roberto Coiti; Urban, Martin; Antoniw, J. F.; Maigret, Bernard; Hammond‐Kosack, K. E.

doi:10.4236/aim.2016.611079

Cited by 6 publications

(16 citation statements)

References 64 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To the best of our knowledge, this article shows for the first time the antifungal activity against F. avenaceum of EOs extracted from A. absintum, M. communis, S. terbentofonius and A. pusilla. In a recent overview of the published studies on the antifungal properties of EOs, these four species were not listed [34]. Ammoides pusilla EO was the second-best EO for inhibiting mycelial growth and is a candidate, along with T. capitatus EO, for the control of F. avenaceum in cereals.…”

Section: Discussionmentioning

confidence: 99%

Ammoides pusilla Essential Oil: A Potent Inhibitor of the Growth of Fusarium avenaceum and Its Enniatin Production

et al. 2021

View full text Add to dashboard Cite

Enniatins are mycotoxins produced by Fusarium species contaminating cereals and various agricultural commodities. The co-occurrence of these mycotoxins in large quantities with other mycotoxins such as trichothecenes and the possible synergies in toxicity could lead to serious food safety problems. Using the agar dilution method, Ammoides pusilla was selected among eight Tunisian plants for the antifungal potential of its essential oil (EO) on Fusarium avenaceum mycelial growth and its production of enniatins. Two EO batches were produced and analyzed by GC/MS-MS. Their activities were measured using both contact assays and fumigant tests (estimated IC50 were 0.1 µL·mL−1 and 7.6 µL·L−1, respectively). The A. pusilla EOs and their volatiles inhibited the germination of spores and the mycelial growth, showing a fungistatic but not fungicidal activity. The accumulation of enniatins was also significantly reduced (estimated IC50 were 0.05 µL·mL−1 for the contact assays and 4.2 µL·L−1 for the fumigation assays). The most active batch of EO was richer in thymol, the main volatile compound found. Thymol used as fumigant showed a potent fungistatic activity but not a significant antimycotoxigenic activity. Overall, our data demonstrated the bioactivity of A. pusilla EO and its high potential to control F. avenaceum and its enniatins production in agricultural commodities.

show abstract

Section: Discussionmentioning

confidence: 99%

Ammoides pusilla Essential Oil: A Potent Inhibitor of the Growth of Fusarium avenaceum and Its Enniatin Production

et al. 2021

View full text Add to dashboard Cite

show abstract

“…We began with the transcriptome analysis of H. vastatrix previously published [ 36 , 37 ]. We employed a similar approach as previously outlined [ 38 ] to identify potential TRPS genes from all of the identified transcripts. Phylogenetic dendrograms were constructed for trp orthologs from bacteria and fungi in order to assess their relative evolutionary distances via bootstrapping of 1000 replications.…”

Section: Methodsmentioning

confidence: 99%

Fungi Tryptophan Synthases: What Is the Role of the Linker Connecting the α and β Structural Domains in Hemileia vastatrix TRPS? A Molecular Dynamics Investigation

Martins,

Viana,

Maigret

2024

Molecules

Self Cite

View full text Add to dashboard Cite

Tryptophan synthase (TRPS) is a complex enzyme responsible for tryptophan biosynthesis. It occurs in bacteria, plants, and fungi as an αββα heterotetramer. Although encoded by independent genes in bacteria and plants, in fungi, TRPS is generated by a single gene that concurrently expresses the α and β entities, which are linked by an elongated peculiar segment. We conducted 1 µs all-atom molecular dynamics simulations on Hemileia vastatrix TRPS to address two questions: (i) the role of the linker segment and (ii) the comparative mode of action. Since there is not an experimental structure, we started our simulations with homology modeling. Based on the results, it seems that TRPS makes use of an already-existing tunnel that can spontaneously move the indole moiety from the α catalytic pocket to the β one. Such behavior was completely disrupted in the simulation without the linker. In light of these results and the αβ dimer’s low stability, the full-working TRPS single genes might be the result of a particular evolution. Considering the significant losses that Hemileia vastatrix causes to coffee plantations, our next course of action will be to use the TRPS to look for substances that can block tryptophan production and therefore control the disease.

show abstract

“…Computational approaches that have so far been mainly and extensively used towards the development of novel drugs in the pharmaceutical industry could provide a powerful toolbox for the design of new fungicides [12]. Such a computational approach has been used by Martins et al [13] to identify, from the F. graminearum PH-1 genome, interesting proteins that could serve as putative targets for blocking the fungal spread and the toxin production associated with FHB disease. Additional criteria used in the former search of protein targets included the expression during plant infection, cell localization in cytoplasm and accessibility to chemical compounds, exclusivity in fungi and absence in organisms such as insects, plants and humans.…”

Section: Introductionmentioning

confidence: 99%

“…TRI5 catalyzes the production of trichodiene, which is the first committed step in the TCTB biosynthetic pathway. A total of 10,240 molecules coming from the Life Chemicals (https://lifechemicals.com/ (accessed on 10 October 2019)) diversity libraries were docked to the two tridimensional target models of ERG6 and TRI5 by Martins et al [13], leading to the selection of 15 putative inhibitors for each protein.…”

Section: Introductionmentioning

confidence: 99%

Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening

et al. 2022

Self Cite

View full text Add to dashboard Cite

Cereal crops are frequently affected by toxigenic Fusarium species, among which the most common and worrying in Europe are Fusarium graminearum and Fusarium culmorum. These species are the causal agents of grain contamination with type B trichothecene (TCTB) mycotoxins. To help reduce the use of synthetic fungicides while guaranteeing low mycotoxin levels, there is an urgent need to develop new, efficient and environmentally-friendly plant protection solutions. Previously, F. graminearum proteins that could serve as putative targets to block the fungal spread and toxin production were identified and a virtual screening undertaken. Here, two selected compounds, M1 and M2, predicted, respectively, as the top compounds acting on the trichodiene synthase, a key enzyme of TCTB biosynthesis, and the 24-sterol-C-methyltransferase, a protein involved in ergosterol biosynthesis, were submitted for biological tests. Corroborating in silico predictions, M1 was shown to significantly inhibit TCTB yield by a panel of strains. Results were less obvious with M2 that induced only a slight reduction in fungal biomass. To go further, seven M1 analogs were assessed, which allowed evidencing of the physicochemical properties crucial for the anti-mycotoxin activity. Altogether, our results provide the first evidence of the promising potential of computational approaches to discover new anti-mycotoxin solutions

show abstract

Searching for Novel Targets to Control Wheat Head Blight Disease—I-Protein Identification, 3D Modeling and Virtual Screening

Cited by 6 publications

References 64 publications

Ammoides pusilla Essential Oil: A Potent Inhibitor of the Growth of Fusarium avenaceum and Its Enniatin Production

Ammoides pusilla Essential Oil: A Potent Inhibitor of the Growth of Fusarium avenaceum and Its Enniatin Production

Fungi Tryptophan Synthases: What Is the Role of the Linker Connecting the α and β Structural Domains in Hemileia vastatrix TRPS? A Molecular Dynamics Investigation

Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening

Contact Info

Product

Resources

About