1 Ocak 2021 Dergi makalesi Açık Erişim

Shahraki, Aida; Isbilir, Ali; Dogan, Berna; Lohse, Martin J.; Durdagi, Serdar; Birgul-Iyison, Necla

Citation Style Language JSON

{
  "DOI": "10.1021/acs.jcim.0c00985", 
  "abstract": "Insect neuropeptide receptors, including allatostatin receptor type C (AstR-C), a G protein-coupled receptor, are among the potential targets for designing next-generation pesticides that despite their importance in offering a new mode-of-action have been overlooked. Focusing on AstR-C of Thaumetopoea pityocampa, a common pest in Mediterranean countries, by employing resonance energy transfer-based methods, we showed G alpha i/o coupling and beta-arrestin recruitment of the receptor at sub-nanomolar and nanomolar ranges of the endogenous ligand, AST-C, respectively. Molecular docking and molecular dynamics simulation studies revealed the importance of extracellular loop 2 in AstRC/AST-C interaction, and a combination of in silico and in vitro approaches showed the substantial role of Q271(6.55) in G protein-dependent activation of AstR-C possibly via contributing to the flexibility of the receptor's structure. The functional and structural insights obtained on T. pit AstR-C positively assist future efforts in developing environmentally friendly pest control agents that are needed urgently.", 
  "author": [
    {
      "family": "Shahraki", 
      "given": " Aida"
    }, 
    {
      "family": "Isbilir", 
      "given": " Ali"
    }, 
    {
      "family": "Dogan", 
      "given": " Berna"
    }, 
    {
      "family": "Lohse", 
      "given": " Martin J."
    }, 
    {
      "family": "Durdagi", 
      "given": " Serdar"
    }, 
    {
      "family": "Birgul-Iyison", 
      "given": " Necla"
    }
  ], 
  "container_title": "JOURNAL OF CHEMICAL INFORMATION AND MODELING", 
  "id": "238024", 
  "issue": "2", 
  "issued": {
    "date-parts": [
      [
        2021, 
        1, 
        1
      ]
    ]
  }, 
  "page": "715-728", 
  "title": "Structural and Functional Characterization of Allatostatin Receptor Type-C of Thaumetopoea pityocampa, a Potential Target for Next-Generation Pest Control Agents", 
  "type": "article-journal", 
  "volume": "61"
}