Three-dimensional quantitative structure-activity relationships between structure of pyrethroid and their acute toxicity

LIU Xing-quan; XU Lu

Volume 19 Issue 4

Jul. 2017

Turn off MathJax

Article Contents

Article Navigation > Journal of Zhejiang A&F University > 2002 > 19(4): 337-341

LIU Xing-quan, XU Lu. Three-dimensional quantitative structure-activity relationships between structure of pyrethroid and their acute toxicity[J]. Journal of Zhejiang A&F University, 2002, 19(4): 337-341.

Citation:

LIU Xing-quan, XU Lu. Three-dimensional quantitative structure-activity relationships between structure of pyrethroid and their acute toxicity[J]. Journal of Zhejiang A&F University, 2002, 19(4): 337-341.

Three-dimensional quantitative structure-activity relationships between structure of pyrethroid and their acute toxicity

LIU Xing-quan^1
,,
XU Lu²

1.
.Faculty of Life Science , Zhejiang Forestry College , Lin'an 311300 , Zhejiang , China;
2.
Changchun Institute of Applied Chemistry , Chinese Academy of Sciences, Changchun 130022, Jinlin, China

Publish Date: 2002-12-20

Abstract

Comparative molecular fields analysis (CoMFA)was applied to the studies of the correlation of the pyrethroid and their acute toxicity-DL50 (rat , P .O .).The comparison of CoMFA results with different lattice spacing and different atom probes was investigated .The relation square of prediction is 0.99 , and the standard error of prediction is 0.08 .CoMFA resulted in a quantitative description of the major steric and electrostatic field effects and gave significant new insights to factors governing toxicity .The model was used to predict the acute toxicity of new compounds with satisfactory results.

Relative Article

[1]	ZHAO Qing, ZHANG Chi, HU Rouxuan, XU Dongxian, QIAN Wanhui, WEI Yuhan, TANG Honghui. Characteristics of the three-dimensional green quantity and recreation space for landscape-recreational forests in Zhuhai City . Journal of Zhejiang A&F University, 2021, 38(3): 534-540. doi: 10.11833/j.issn.2095-0756.20200455
[2]	YIN Yue, AN Wei, ZHAO Jianhua, WANG Yajun, FAN Yunfang, CAO Youlong. SSR information in transcriptome and development of molecular markers in Lycium ruthenicum . Journal of Zhejiang A&F University, 2019, 36(2): 422-428. doi: 10.11833/j.issn.2095-0756.2019.02.025
[3]	ZHAO Kai, TANG Lihua, ZHANG Shujing. Research on interactively 3D tree modeling and visualization based on OpenGL . Journal of Zhejiang A&F University, 2019, 36(1): 138-147. doi: 10.11833/j.issn.2095-0756.2019.01.017
[4]	ZHU Yuyi, XIE Weijia, HUANG Huaguo. Modeling sensible flux and latent flux in Heihe and boreal forests based on a 3D ENVI-met model . Journal of Zhejiang A&F University, 2018, 35(3): 440-452. doi: 10.11833/j.issn.2095-0756.2018.03.007
[5]	XU Shiyu, SHI Yongjun, FENG Shengfei. Nondestructive and accurate measurement of volume and stem carbon storage for urban greening tree species based on terrestrial laser scanning point cloud . Journal of Zhejiang A&F University, 2018, 35(6): 1062-1069. doi: 10.11833/j.issn.2095-0756.2018.06.009
[6]	FENG Yunyun, LIU Lijuan, LU Dengsheng, PANG Yong. A comparative study of dimension reduction methods for airborne hyperspectral images . Journal of Zhejiang A&F University, 2017, 34(5): 765-774. doi: 10.11833/j.issn.2095-0756.2017.05.001
[7]	LIU Hongbo. Five pyrethroid pesticide residues for three kinds of traditional Chinese medicines using GC-MS . Journal of Zhejiang A&F University, 2015, 32(1): 110-115. doi: 10.11833/j.issn.2095-0756.2015.01.016
[8]	XU Yichun, HU Shaoqing, ZHAO Hongbo. Genetic structure of different natural Osmanthus fragrans populations based on AFLP method . Journal of Zhejiang A&F University, 2014, 31(2): 217-223. doi: 10.11833/j.issn.2095-0756.2014.02.009
[9]	LIU Bao, FAN Huihua, PENG Zhuqing, LIU Yan, CHEN Cunji. Molecular polymorphic analysis with geographic provenances of Sapindus mukorossi . Journal of Zhejiang A&F University, 2014, 31(1): 151-155. doi: 10.11833/j.issn.2095-0756.2014.01.023
[10]	SHEN Jiahui, QIN An, LI Jiaming, LIU Lun, WU Jun. Identification and analysis of EMS-induced seed mutants in Pyrus betulifolia . Journal of Zhejiang A&F University, 2014, 31(6): 892-897. doi: 10.11833/j.issn.2095-0756.2014.06.010
[11]	WANG Dongliang, JIN Hexian, FAN Likun, TANG Yuli. Distribution and influencing factors of three-dimensional green biomass for artificial greenbelts in sanatoriums . Journal of Zhejiang A&F University, 2013, 30(4): 529-535. doi: 10.11833/j.issn.2095-0756.2013.04.011
[12]	DU Ming-li, GAO Qun-ying, GAO Yan, ZHANG Ru-min. Organic compounds in exotic Coreopsis grandiflora using GC-MS . Journal of Zhejiang A&F University, 2012, 29(2): 313-318. doi: 10.11833/j.issn.2095-0756.2012.02.024
[13]	GUO Yun-xue, JIANG Wen-wei, DAI Feng, HUANG Jian-rong. Photosynthetic characteristics of three Coreopsis species . Journal of Zhejiang A&F University, 2012, 29(5): 755-761. doi: 10.11833/j.issn.2095-0756.2012.05.019
[14]	ZHANG Hai-ping, FANG Wei-min, CHEN Fa-di, DING Yue-sheng, YANG Xue-meng. Isozyme analysis for different organs and growth stages of water lily . Journal of Zhejiang A&F University, 2010, 27(2): 246-250. doi: 10.11833/j.issn.2095-0756.2010.02.014
[15]	CAO Lei, WANG Zhi-yin, LIU Xiang-nong, YANG Yu-xiang. Biomimetic synthesis of mesoporous silica support with a three-dimensional large-pore ordered structure . Journal of Zhejiang A&F University, 2010, 27(3): 437-444. doi: 10.11833/j.issn.2095-0756.2010.03.019
[16]	XU Wen－bing, TANG Meng－ping. ree’s 3D coordinates positioned by two－side intersection with total station . Journal of Zhejiang A&F University, 2010, 27(6): 815-820. doi: 10.11833/j.issn.2095-0756.2010.06.002
[17]	LI Yin-gang, ZHOU Zhi-chun, JIN Guo-qing, LIAO Guo-hua, YU Neng-jian, WANG Yue-sheng. Selecting provenances of Cephalotaxus fortunei for superior growth and content of harringtonine and homoharringtonine . Journal of Zhejiang A&F University, 2008, 25(6): 749-755.
[18]	HE Ying, WEI Xin-liang, CAI Xia, LI Ke-zhui, WANG Zhen. Quantitative analysis of community structure in ecological landscape forests . Journal of Zhejiang A&F University, 2007, 24(6): 711-718.
[19]	ZHAO Hong-bo, CHEN Fa-di, FANG Wei-min. Detection methods of pollen viability of Dendranthema . Journal of Zhejiang A&F University, 2006, 23(4): 406-409.
[20]	Wu Hong, Huang Guoyang, Lu Xiaoping, Zhao Pinlong. Studies on Insecticide-resistance of Dendrolimus punctatus. . Journal of Zhejiang A&F University, 1997, 14(2): 159-164.

References
Proportional views

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Get Citation

PDF

XML

Article views(1238) PDF downloads(291) Cited by()

Proportional views

Three-dimensional quantitative structure-activity relationships between structure of pyrethroid and their acute toxicity

1. .Faculty of Life Science , Zhejiang Forestry College , Lin'an 311300 , Zhejiang , China;

2. Changchun Institute of Applied Chemistry , Chinese Academy of Sciences, Changchun 130022, Jinlin, China

Publish Date: 2002-12-20

Key words:

three-dimensional quantitative structure-activity relationships (3D-QSAR) /
comparative molecular fields analysis (CoMFA) /
pyrethroid

Abstract: Comparative molecular fields analysis (CoMFA)was applied to the studies of the correlation of the pyrethroid and their acute toxicity-DL50 (rat , P .O .).The comparison of CoMFA results with different lattice spacing and different atom probes was investigated .The relation square of prediction is 0.99 , and the standard error of prediction is 0.08 .CoMFA resulted in a quantitative description of the major steric and electrostatic field effects and gave significant new insights to factors governing toxicity .The model was used to predict the acute toxicity of new compounds with satisfactory results.

Three-dimensional quantitative structure-activity relationships between structure of pyrethroid and their acute toxicity

Abstract

References

Proportional views

通讯作者: 陈斌, bchen63@163.com

Related

Proportional views