A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants
Root-knot nematodes (RKN), from the <i>Meloidogyne</i> genus, have a worldwide distribution and cause severe economic damage to many life-sustaining crops. Because of their lack of specificity and danger to the environment, most chemical nematicides have been banned from use. Thus, there...
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doaj-4530f587994b46bcb79e1eaf7bc6b6662020-11-25T02:42:35ZengMDPI AGMolecules1420-30492019-10-012420379810.3390/molecules24203798molecules24203798A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in PlantsEmmanuel Bresso0Diana Fernandez1Deisy X. Amora2Philippe Noel3Anne-Sophie Petitot4Maria-Eugênia Lisei de Sa5Erika V. S. Albuquerque6Etienne G. J. Danchin7Bernard Maigret8Natália F. Martins9Université de Lorraine, CNRS, Inria, LORIA, F-54000 Nancy, FranceEMBRAPA Genetic Resources and Biotechnology, Brasilia 70770-917, DF, BrazilEMBRAPA Genetic Resources and Biotechnology, Brasilia 70770-917, DF, BrazilUniversité de Lorraine, CNRS, Inria, LORIA, F-54000 Nancy, FranceIRD, CIRAD, Université de Montpellier, IPME, F-34398 Montpellier, FranceEMBRAPA Genetic Resources and Biotechnology, Brasilia 70770-917, DF, BrazilEMBRAPA Genetic Resources and Biotechnology, Brasilia 70770-917, DF, BrazilINRA, Université Côte d’Azur, CNRS, Institut Sophia Agrobiotech, F-06903 Sophia-Antipolis, FranceUniversité de Lorraine, CNRS, Inria, LORIA, F-54000 Nancy, FranceEMBRAPA Genetic Resources and Biotechnology, Brasilia 70770-917, DF, BrazilRoot-knot nematodes (RKN), from the <i>Meloidogyne</i> genus, have a worldwide distribution and cause severe economic damage to many life-sustaining crops. Because of their lack of specificity and danger to the environment, most chemical nematicides have been banned from use. Thus, there is a great need for new and safe compounds to control RKN. Such research involves identifying beforehand the nematode proteins essential to the invasion. Since G protein-coupled receptors GPCRs are the target of a large number of drugs, we have focused our research on the identification of putative nematode GPCRs such as those capable of controlling the movement of the parasite towards (or within) its host. A datamining procedure applied to the genome of <i>Meloidogyne incognita</i> allowed us to identify a GPCR, belonging to the neuropeptide GPCR family that can serve as a target to carry out a virtual screening campaign. We reconstructed a 3D model of this receptor by homology modeling and validated it through extensive molecular dynamics simulations. This model was used for large scale molecular dockings which produced a filtered limited set of putative antagonists for this GPCR. Preliminary experiments using these selected molecules allowed the identification of an active compound, namely C260-2124, from the ChemDiv provider, which can serve as a starting point for further investigations.https://www.mdpi.com/1420-3049/24/20/3798<i>meloidogyne incognita</i>homology modellingmolecular dynamicsvirtual screening |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Emmanuel Bresso Diana Fernandez Deisy X. Amora Philippe Noel Anne-Sophie Petitot Maria-Eugênia Lisei de Sa Erika V. S. Albuquerque Etienne G. J. Danchin Bernard Maigret Natália F. Martins |
spellingShingle |
Emmanuel Bresso Diana Fernandez Deisy X. Amora Philippe Noel Anne-Sophie Petitot Maria-Eugênia Lisei de Sa Erika V. S. Albuquerque Etienne G. J. Danchin Bernard Maigret Natália F. Martins A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants Molecules <i>meloidogyne incognita</i> homology modelling molecular dynamics virtual screening |
author_facet |
Emmanuel Bresso Diana Fernandez Deisy X. Amora Philippe Noel Anne-Sophie Petitot Maria-Eugênia Lisei de Sa Erika V. S. Albuquerque Etienne G. J. Danchin Bernard Maigret Natália F. Martins |
author_sort |
Emmanuel Bresso |
title |
A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants |
title_short |
A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants |
title_full |
A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants |
title_fullStr |
A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants |
title_full_unstemmed |
A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants |
title_sort |
chemosensory gpcr as a potential target to control the root-knot nematode <i>meloidogyne incognita</i> parasitism in plants |
publisher |
MDPI AG |
series |
Molecules |
issn |
1420-3049 |
publishDate |
2019-10-01 |
description |
Root-knot nematodes (RKN), from the <i>Meloidogyne</i> genus, have a worldwide distribution and cause severe economic damage to many life-sustaining crops. Because of their lack of specificity and danger to the environment, most chemical nematicides have been banned from use. Thus, there is a great need for new and safe compounds to control RKN. Such research involves identifying beforehand the nematode proteins essential to the invasion. Since G protein-coupled receptors GPCRs are the target of a large number of drugs, we have focused our research on the identification of putative nematode GPCRs such as those capable of controlling the movement of the parasite towards (or within) its host. A datamining procedure applied to the genome of <i>Meloidogyne incognita</i> allowed us to identify a GPCR, belonging to the neuropeptide GPCR family that can serve as a target to carry out a virtual screening campaign. We reconstructed a 3D model of this receptor by homology modeling and validated it through extensive molecular dynamics simulations. This model was used for large scale molecular dockings which produced a filtered limited set of putative antagonists for this GPCR. Preliminary experiments using these selected molecules allowed the identification of an active compound, namely C260-2124, from the ChemDiv provider, which can serve as a starting point for further investigations. |
topic |
<i>meloidogyne incognita</i> homology modelling molecular dynamics virtual screening |
url |
https://www.mdpi.com/1420-3049/24/20/3798 |
work_keys_str_mv |
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