التفاصيل البيبلوغرافية
| العنوان: |
Synthesis, insecticidal activities, and molecular docking studies of 1,5-disubstituted-1,3,5-hexahydrotriazine-2-( N-nitro)imines. |
| المؤلفون: |
Chuan-Wen Sun, Hai-Feng Wang, Jun Zhu, Ding-Rong Yang, Jia Jin, Jia-Hua Xing |
| المصدر: |
Journal of Heterocyclic Chemistry; Jul2011, Vol. 48 Issue 4, p829-835, 7p, 3 Diagrams, 1 Chart |
| مصطلحات موضوعية: |
INSECTICIDES, IMINES, NEONICOTINOIDS, PHENYL compounds, HETEROCYCLIC compounds, STRUCTURE-activity relationships |
| مستخلص: |
A series of novel neonicotinoids analogs were designed by modifying the pharmacophore of imidacloprid to 1,3,5-hexahydrotriazine conjugated to nitroimine (NNO2) and introducing the phenyl or arylmethyl at the 5-position, and their insecticidal activities were evaluated. Introducing a heterocyclic methyl at 5-position increased the insecticidal activities, whereas other phenyl, phenylmethyl or phenylethyl substituents were unfavorable to activities. Molecular docking study was also performed to clarify the interactions of the most potent analog 1-((6-chloropyridin-3-yl)methyl)-5-(3-pyridylmethyl)-1,3,5-hexahydrotriazine-2-( N-nitro) imine ( 7s) with the target nicotinic acetylcholine receptor, which explained the structure-activity relationships observed in vitro, and revealed further possibilities for insecticide development. J. Heterocyclic Chem., (2011). [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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