Bio-rational design synthesis of novel herbicides

Hua Zheng Yang, Yin Lin Sha, Guang Fu Yang, Hua Yin Liu, Aiming Yu, Guo Feng Zhao, Xiao Mao Zou, Fang Zhong Hu, Hui Fen Tan, Yong Hong Li

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The method of bio-rational design was applied for designing two novel herbicides, photosystem II inhibitor and ALS inhibitor. Based on the photosystem reaction center's X-ray crystal structure of Rps. viridis, the 3D-structure of Pisum sativum 32 Kdal protein (D1) was constructed with homology modeling method. The molecular modeling of cyanoacrylates (cyanoacrylamides) with D1 protein of Pisum sativum have been presented. Studies show that the binding force includes mainly II-bond interaction, Van der Waals and π-ring stacking interaction. It was found that SER 268 in D1 protein might be an important binding site. Thus some new cyanoacrylates (cyanoacrylamides) were designed and synthesized. For rapid optimization, combinatorial methods were introduced to synthesize 3-N-substituted (2-thio) hydrouracils library using Wang resin. For the AIS inhibitors, their 2D-QSAR, 3D-QSAR analysis, action model and molecular design of nlovel inhibitors were discussed.

Original languageEnglish (US)
Pages (from-to)923-932
Number of pages10
JournalChinese Journal of Organic Chemistry
Volume21
Issue number11
StatePublished - 2001
Externally publishedYes

Fingerprint

Herbicides
Cyanoacrylates
Proteins
Molecular modeling
Photosystem II Protein Complex
Combinatorial optimization
Crystal structure
Binding Sites
X rays

Keywords

  • ALS inhibitors
  • Bio-rational design
  • Molecular modeling
  • Photosystem II inhibitors
  • Solid-phase combinatorial synthesis

ASJC Scopus subject areas

  • Organic Chemistry

Cite this

Yang, H. Z., Sha, Y. L., Yang, G. F., Liu, H. Y., Yu, A., Zhao, G. F., ... Li, Y. H. (2001). Bio-rational design synthesis of novel herbicides. Chinese Journal of Organic Chemistry, 21(11), 923-932.

Bio-rational design synthesis of novel herbicides. / Yang, Hua Zheng; Sha, Yin Lin; Yang, Guang Fu; Liu, Hua Yin; Yu, Aiming; Zhao, Guo Feng; Zou, Xiao Mao; Hu, Fang Zhong; Tan, Hui Fen; Li, Yong Hong.

In: Chinese Journal of Organic Chemistry, Vol. 21, No. 11, 2001, p. 923-932.

Research output: Contribution to journalArticle

Yang, HZ, Sha, YL, Yang, GF, Liu, HY, Yu, A, Zhao, GF, Zou, XM, Hu, FZ, Tan, HF & Li, YH 2001, 'Bio-rational design synthesis of novel herbicides', Chinese Journal of Organic Chemistry, vol. 21, no. 11, pp. 923-932.
Yang HZ, Sha YL, Yang GF, Liu HY, Yu A, Zhao GF et al. Bio-rational design synthesis of novel herbicides. Chinese Journal of Organic Chemistry. 2001;21(11):923-932.
Yang, Hua Zheng ; Sha, Yin Lin ; Yang, Guang Fu ; Liu, Hua Yin ; Yu, Aiming ; Zhao, Guo Feng ; Zou, Xiao Mao ; Hu, Fang Zhong ; Tan, Hui Fen ; Li, Yong Hong. / Bio-rational design synthesis of novel herbicides. In: Chinese Journal of Organic Chemistry. 2001 ; Vol. 21, No. 11. pp. 923-932.
@article{7d427cadcf514cb0bfa0005512a6bce5,
title = "Bio-rational design synthesis of novel herbicides",
abstract = "The method of bio-rational design was applied for designing two novel herbicides, photosystem II inhibitor and ALS inhibitor. Based on the photosystem reaction center's X-ray crystal structure of Rps. viridis, the 3D-structure of Pisum sativum 32 Kdal protein (D1) was constructed with homology modeling method. The molecular modeling of cyanoacrylates (cyanoacrylamides) with D1 protein of Pisum sativum have been presented. Studies show that the binding force includes mainly II-bond interaction, Van der Waals and π-ring stacking interaction. It was found that SER 268 in D1 protein might be an important binding site. Thus some new cyanoacrylates (cyanoacrylamides) were designed and synthesized. For rapid optimization, combinatorial methods were introduced to synthesize 3-N-substituted (2-thio) hydrouracils library using Wang resin. For the AIS inhibitors, their 2D-QSAR, 3D-QSAR analysis, action model and molecular design of nlovel inhibitors were discussed.",
keywords = "ALS inhibitors, Bio-rational design, Molecular modeling, Photosystem II inhibitors, Solid-phase combinatorial synthesis",
author = "Yang, {Hua Zheng} and Sha, {Yin Lin} and Yang, {Guang Fu} and Liu, {Hua Yin} and Aiming Yu and Zhao, {Guo Feng} and Zou, {Xiao Mao} and Hu, {Fang Zhong} and Tan, {Hui Fen} and Li, {Yong Hong}",
year = "2001",
language = "English (US)",
volume = "21",
pages = "923--932",
journal = "Chinese Journal of Organic Chemistry",
issn = "0253-2786",
publisher = "Science Press",
number = "11",

}

TY - JOUR

T1 - Bio-rational design synthesis of novel herbicides

AU - Yang, Hua Zheng

AU - Sha, Yin Lin

AU - Yang, Guang Fu

AU - Liu, Hua Yin

AU - Yu, Aiming

AU - Zhao, Guo Feng

AU - Zou, Xiao Mao

AU - Hu, Fang Zhong

AU - Tan, Hui Fen

AU - Li, Yong Hong

PY - 2001

Y1 - 2001

N2 - The method of bio-rational design was applied for designing two novel herbicides, photosystem II inhibitor and ALS inhibitor. Based on the photosystem reaction center's X-ray crystal structure of Rps. viridis, the 3D-structure of Pisum sativum 32 Kdal protein (D1) was constructed with homology modeling method. The molecular modeling of cyanoacrylates (cyanoacrylamides) with D1 protein of Pisum sativum have been presented. Studies show that the binding force includes mainly II-bond interaction, Van der Waals and π-ring stacking interaction. It was found that SER 268 in D1 protein might be an important binding site. Thus some new cyanoacrylates (cyanoacrylamides) were designed and synthesized. For rapid optimization, combinatorial methods were introduced to synthesize 3-N-substituted (2-thio) hydrouracils library using Wang resin. For the AIS inhibitors, their 2D-QSAR, 3D-QSAR analysis, action model and molecular design of nlovel inhibitors were discussed.

AB - The method of bio-rational design was applied for designing two novel herbicides, photosystem II inhibitor and ALS inhibitor. Based on the photosystem reaction center's X-ray crystal structure of Rps. viridis, the 3D-structure of Pisum sativum 32 Kdal protein (D1) was constructed with homology modeling method. The molecular modeling of cyanoacrylates (cyanoacrylamides) with D1 protein of Pisum sativum have been presented. Studies show that the binding force includes mainly II-bond interaction, Van der Waals and π-ring stacking interaction. It was found that SER 268 in D1 protein might be an important binding site. Thus some new cyanoacrylates (cyanoacrylamides) were designed and synthesized. For rapid optimization, combinatorial methods were introduced to synthesize 3-N-substituted (2-thio) hydrouracils library using Wang resin. For the AIS inhibitors, their 2D-QSAR, 3D-QSAR analysis, action model and molecular design of nlovel inhibitors were discussed.

KW - ALS inhibitors

KW - Bio-rational design

KW - Molecular modeling

KW - Photosystem II inhibitors

KW - Solid-phase combinatorial synthesis

UR - http://www.scopus.com/inward/record.url?scp=0035733369&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035733369&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0035733369

VL - 21

SP - 923

EP - 932

JO - Chinese Journal of Organic Chemistry

JF - Chinese Journal of Organic Chemistry

SN - 0253-2786

IS - 11

ER -