Matches in SemOpenAlex for { <https://semopenalex.org/work/W4382402151> ?p ?o ?g. }
- W4382402151 endingPage "583" @default.
- W4382402151 startingPage "583" @default.
- W4382402151 abstract "Sirex nitobei is an important wood-boring wasp to conifers native to Asia, causing considerable economic and ecological damage. However, the current control means cannot achieve better efficiency, and it is expected to clarify the molecular mechanism of protein-ligand binding for effective pest control. This study analyzed the expression pattern of CSP2 in S. nitobei (SnitCSP2) and its features of binding to the screened ligands using molecular docking and dynamic simulations. The results showed that SnitCSP2 was significantly expressed in female antennae. Molecular docking and dynamic simulations revealed that SnitCSP2 bound better to the host plant volatile (+)-α-pinene and symbiotic fungal volatiles terpene and (-)-globulol than other target ligands. By the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method, the free binding energies of the three complexes were calculated as -44.813 ± 0.189 kJ/mol, -50.446 ± 0.396 kJ/mol, and -56.418 ± 0.368 kJ/mol, and the van der Waals energy was found to contribute significantly to the stability of the complexes. Some key amino acid residues were also identified: VAL13, GLY14, LYS61, MET65, and LYS68 were important for the stable binding of (+)-α-pinene by SnitCSP2, while for terpenes, ILE16, ALA25, TYR26, CYS29, GLU39, THR37, and GLY40 were vital for a stable binding system. We identified three potential ligands and analyzed the interaction patterns of the proteins with them to provide a favorable molecular basis for regulating insect behavioral interactions and developing new pest control strategies." @default.
- W4382402151 created "2023-06-29" @default.
- W4382402151 creator A5022620492 @default.
- W4382402151 creator A5034689364 @default.
- W4382402151 creator A5063010547 @default.
- W4382402151 creator A5078033604 @default.
- W4382402151 creator A5084846204 @default.
- W4382402151 creator A5088984460 @default.
- W4382402151 date "2023-06-27" @default.
- W4382402151 modified "2023-09-30" @default.
- W4382402151 title "Expression Pattern and Ligand Binding Characteristics Analysis of Chemosensory Protein SnitCSP2 from Sirex nitobei" @default.
- W4382402151 cites W1031578623 @default.
- W4382402151 cites W1576452024 @default.
- W4382402151 cites W1897555934 @default.
- W4382402151 cites W1967042065 @default.
- W4382402151 cites W1967194316 @default.
- W4382402151 cites W1972443463 @default.
- W4382402151 cites W1986173757 @default.
- W4382402151 cites W1987474460 @default.
- W4382402151 cites W1993967368 @default.
- W4382402151 cites W1997569054 @default.
- W4382402151 cites W1999593245 @default.
- W4382402151 cites W2002967284 @default.
- W4382402151 cites W2003024134 @default.
- W4382402151 cites W2015561698 @default.
- W4382402151 cites W2017483461 @default.
- W4382402151 cites W2018524793 @default.
- W4382402151 cites W2018882399 @default.
- W4382402151 cites W2025494168 @default.
- W4382402151 cites W2033038704 @default.
- W4382402151 cites W2037568994 @default.
- W4382402151 cites W2043439650 @default.
- W4382402151 cites W2045683699 @default.
- W4382402151 cites W2053887898 @default.
- W4382402151 cites W2069164445 @default.
- W4382402151 cites W2071486470 @default.
- W4382402151 cites W2076140018 @default.
- W4382402151 cites W2083284221 @default.
- W4382402151 cites W2088276813 @default.
- W4382402151 cites W2102993309 @default.
- W4382402151 cites W2104353393 @default.
- W4382402151 cites W2105668062 @default.
- W4382402151 cites W2107277218 @default.
- W4382402151 cites W2127016153 @default.
- W4382402151 cites W2127140137 @default.
- W4382402151 cites W2147993766 @default.
- W4382402151 cites W2152453952 @default.
- W4382402151 cites W2153471314 @default.
- W4382402151 cites W2155646386 @default.
- W4382402151 cites W2157244997 @default.
- W4382402151 cites W2162684274 @default.
- W4382402151 cites W2172206778 @default.
- W4382402151 cites W2192080449 @default.
- W4382402151 cites W2259179159 @default.
- W4382402151 cites W2288518258 @default.
- W4382402151 cites W2412884549 @default.
- W4382402151 cites W2520066312 @default.
- W4382402151 cites W2613545412 @default.
- W4382402151 cites W2738154717 @default.
- W4382402151 cites W2886131615 @default.
- W4382402151 cites W2892649532 @default.
- W4382402151 cites W2906368205 @default.
- W4382402151 cites W2911496133 @default.
- W4382402151 cites W2944656497 @default.
- W4382402151 cites W2949121824 @default.
- W4382402151 cites W2950742759 @default.
- W4382402151 cites W2951693643 @default.
- W4382402151 cites W2959747018 @default.
- W4382402151 cites W2980810464 @default.
- W4382402151 cites W3000848980 @default.
- W4382402151 cites W3009815973 @default.
- W4382402151 cites W303548277 @default.
- W4382402151 cites W3041897240 @default.
- W4382402151 cites W3110549637 @default.
- W4382402151 cites W3125433101 @default.
- W4382402151 cites W3133530201 @default.
- W4382402151 cites W4255803045 @default.
- W4382402151 doi "https://doi.org/10.3390/insects14070583" @default.
- W4382402151 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37504589" @default.
- W4382402151 hasPublicationYear "2023" @default.
- W4382402151 type Work @default.
- W4382402151 citedByCount "0" @default.
- W4382402151 crossrefType "journal-article" @default.
- W4382402151 hasAuthorship W4382402151A5022620492 @default.
- W4382402151 hasAuthorship W4382402151A5034689364 @default.
- W4382402151 hasAuthorship W4382402151A5063010547 @default.
- W4382402151 hasAuthorship W4382402151A5078033604 @default.
- W4382402151 hasAuthorship W4382402151A5084846204 @default.
- W4382402151 hasAuthorship W4382402151A5088984460 @default.
- W4382402151 hasBestOaLocation W43824021511 @default.
- W4382402151 hasConcept C107824862 @default.
- W4382402151 hasConcept C116569031 @default.
- W4382402151 hasConcept C12554922 @default.
- W4382402151 hasConcept C147597530 @default.
- W4382402151 hasConcept C159110408 @default.
- W4382402151 hasConcept C170493617 @default.
- W4382402151 hasConcept C185592680 @default.
- W4382402151 hasConcept C25057246 @default.