@article{fdi:010077319,
  title = {{A} chemosensory {GPCR} as a potential target to control the root-knot nematode {M}eloidogyne incognita parasitism in plants},
  author = {{B}resso, {E}. and {F}ernandez, {D}iana and {A}mora, {D}. {X}. and {N}oel, {P}. and {P}etitot, {A}nne-{S}ophie and de {S}a, {M}. {E}. {L}. and {A}lbuquerque, {E}. {V}. {S}. and {D}anchin, {E}. {G}. {J}. and {M}aigret, {B}. and {M}artins, {N}. {F}.},
  editor = {},
  language = {{ENG}},
  abstract = {{R}oot-knot nematodes ({RKN}), from the {M}eloidogyne genus, have a worldwide distribution and cause severe economic damage to many life-sustaining crops. {B}ecause of their lack of specificity and danger to the environment, most chemical nematicides have been banned from use. {T}hus, there is a great need for new and safe compounds to control {RKN}. {S}uch research involves identifying beforehand the nematode proteins essential to the invasion. {S}ince {G} protein-coupled receptors {GPCR}s are the target of a large number of drugs, we have focused our research on the identification of putative nematode {GPCR}s such as those capable of controlling the movement of the parasite towards (or within) its host. {A} datamining procedure applied to the genome of {M}eloidogyne incognita 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. {W}e reconstructed a 3{D} model of this receptor by homology modeling and validated it through extensive molecular dynamics simulations. {T}his model was used for large scale molecular dockings which produced a filtered limited set of putative antagonists for this {GPCR}. {P}reliminary experiments using these selected molecules allowed the identification of an active compound, namely {C}260-2124, from the {C}hem{D}iv provider, which can serve as a starting point for further investigations.},
  keywords = {{M}eloidogyne incognita ; homology modelling ; molecular dynamics ; virtual ; screening},
  booktitle = {},
  journal = {{M}olecules},
  volume = {24},
  numero = {},
  pages = {art. 3798 [22 p.]},
  year = {2019},
  DOI = {10.3390/molecules24203798},
  URL = {https://www.documentation.ird.fr/hor/fdi:010077319},
}