2016
DOI: 10.1186/s12859-016-1342-9
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GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight disease

Abstract: Backgound Fusarium graminearum (FG) is one of the major cereal infecting pathogens causing high economic losses worldwide and resulting in adverse effects on human and animal health. Therefore, the development of new fungicides against FG is an important issue to reduce cereal infection and economic impact. In the strategy for developing new fungicides, a critical step is the identification of new targets against which innovative chemicals weapons can be designed. As several G-protein coupled receptors (GPCRs)… Show more

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Cited by 8 publications
(4 citation statements)
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“…of FgSte2 in chemotropism, the previously annotated STE2 gene 27,34,35 was deleted through homologous recombination using ATMT. Three positive hygromycin-resistant transformants (Fgste2Δ-1, Fgste2Δ-3, Fgste2Δ-5) were further confirmed by PCR amplification across the upstream junction of integration of the knockout cassette with primers P13 (located in the upstream genomic DNA region outside of the knockout cassette) + P16 (within the hygromycin coding region) (Supplemental Table 1, Supplemental Figure S4a).…”
Section: Deletion Of F Graminearum Ste2 Results In Loss Of Chemotropmentioning
confidence: 99%
“…of FgSte2 in chemotropism, the previously annotated STE2 gene 27,34,35 was deleted through homologous recombination using ATMT. Three positive hygromycin-resistant transformants (Fgste2Δ-1, Fgste2Δ-3, Fgste2Δ-5) were further confirmed by PCR amplification across the upstream junction of integration of the knockout cassette with primers P13 (located in the upstream genomic DNA region outside of the knockout cassette) + P16 (within the hygromycin coding region) (Supplemental Table 1, Supplemental Figure S4a).…”
Section: Deletion Of F Graminearum Ste2 Results In Loss Of Chemotropmentioning
confidence: 99%
“…However, it seems that there is no standard pipeline for the refinement of GPCR homology models. In most studies, the initial structures of GPCR homology models were simply relaxed by molecular mechanics (MM) minimization. A number of models were further refined and improved by molecular dynamics (MD) simulations without or with a lipid bilayer environment. Moreover, MD simulations can produce a conformational ensemble instead of a single conformation for docking, which may yield more reasonable docking results. Furthermore, in several studies, the binding sites of the homology models were optimized by induced-fit docking (IFD) to allow for side-chain flexibility. Based on the refined optimized homology models, the capability of a given docking algorithm to recognize near-native-binding poses of known ligands and distinguish known ligands from decoys needs to be evaluated. However, in many studies, the quality of the reported GPCR homology models was not evaluated …”
Section: Introductionmentioning
confidence: 99%
“…To determine whether Fg Ste3 is involved in mediating the chemotropic response to peroxidase, the annotated F. graminearum STE3 gene sequence ( FGSG_07270 [ 28 30 ]) was deleted from F. graminearum . A CRISPR-CAS9-mediated transformation strategy was applied using a homology-directed repair mechanism, in which the entire FgSTE3 open reading frame was replaced with a hygromycin-resistance gene cassette ( Fig.…”
Section: Resultsmentioning
confidence: 99%