ICCAS OpenIR
Binding model and 3D-QSAR of 3-(2-chloropyrid-5-ylmethylamino)-2-cyanoacrylates as PSII electron transport inhibitor
Han Xiao-Feng; Liu Yu-Xiu; Liu Ying; Lai Lu-Hua; Huang Run-Qiu; Wang Qing-Ming
2007-08-01
Source PublicationCHINESE JOURNAL OF CHEMISTRY
ISSN1001-604X
Volume25Issue:8Pages:1135-1138
AbstractThe binding model of 3-(2-chloropyrid-5-ylmethylamino)-2-cyanoacrylate photosystem II (PSII) electron transport inhibitors with the D1 protein of PSII was built. The high herbicidal activity of this kind of inhibitors was explained by docking studies: in addition to usual factors, the N atom on the pyridine ring could form an H-bond with the backbone amide of Phe265 on the D1 protein. 3D-QSAR analysis on sixteen 3-(2-chloropyrid-5-ylmethylamino)-2-cyanoacrylate compounds was performed using CoMFA method to explain the nature of interactions between the compounds and D1 protein. These studies may provide useful insights for designing new PSII electron transport inhibitors.
Keyword3-(2-chloropyrid-5-ylmethylamino)-2-cyanoacrylates Hill Reaction Activity Photosystem Ii Electron Transport Inhibitor Binding Model 3d-qsar
Indexed BySCI
Language英语
WOS IDWOS:000248877900017
PublisherWILEY-V C H VERLAG GMBH
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/61786
Collection中国科学院化学研究所
Corresponding AuthorLiu Ying
Affiliation1.Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100871, Peoples R China
2.Peking Univ, Ctr Theoret Biol, Beijing 100871, Peoples R China
3.Nankai Univ, Inst Elementoorgan Chem, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China
Recommended Citation
GB/T 7714
Han Xiao-Feng,Liu Yu-Xiu,Liu Ying,et al. Binding model and 3D-QSAR of 3-(2-chloropyrid-5-ylmethylamino)-2-cyanoacrylates as PSII electron transport inhibitor[J]. CHINESE JOURNAL OF CHEMISTRY,2007,25(8):1135-1138.
APA Han Xiao-Feng,Liu Yu-Xiu,Liu Ying,Lai Lu-Hua,Huang Run-Qiu,&Wang Qing-Ming.(2007).Binding model and 3D-QSAR of 3-(2-chloropyrid-5-ylmethylamino)-2-cyanoacrylates as PSII electron transport inhibitor.CHINESE JOURNAL OF CHEMISTRY,25(8),1135-1138.
MLA Han Xiao-Feng,et al."Binding model and 3D-QSAR of 3-(2-chloropyrid-5-ylmethylamino)-2-cyanoacrylates as PSII electron transport inhibitor".CHINESE JOURNAL OF CHEMISTRY 25.8(2007):1135-1138.
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