Journal
REVUE ROUMAINE DE CHIMIE
Volume 63, Issue 7-8, Pages 759-+Publisher
EDITURA ACAD ROMANE
Keywords
comparative modeling; SMO receptor; pesticides
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Funding
- Institute of Chemistry of Roumanian Academy Timisoara [1.1]
- Roumanian National Authority for Scientific Research and Innovation, CNCS - UEFISCDI [PN-II-RU-TE-2014-4-0422]
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G-protein coupled receptors (GPCRs) family represent essential targets for drug discovery, but until recently they have not been explored as targets of interest for agrochemical industry. From this family, the smoothened (SMO) receptor has been highlighted as a potential target for the development of novel pesticides. Hitherto, there is not an available X-ray structure of the Tribolium castaneum species for SMO. Thus, in order to highlight common and distinctive features of the human versus Tribolium castaneum SMO receptors, a good homology model for the aforementioned receptor was built using as templates the X-ray structures of human SMO receptors (PDB ID: 4jkv and 4qin). The SiteMap software of Schrodinger suite has been used to identify possible binding sites in the homology model. Five potential binding sites have been discovered. The best scored binding site overlaps perfectly with the binding site of the experimental human SMO proteins.
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