四川大学学报（自然科学版）2017，Vol.54Issue(4)：874-880,7.DOI:10.3969/j.issn.0490-6756.2017.04.035
八氢番茄红素脱氢酶的分子结构及其与达草灭相互作用分析
The molecular structure of phytoene desaturase and the analysis of the interaction between PDS and norflurazon
摘要
Abstract
Phytoene desaturase(PDS) is the target of the bleaching herbicide,norflurazon.The 2D and 3D structures of wild PDS and two mutations were achived by online prediction,docking of PDS and norflurazon was carried out by DOCK6.5.Binding stablity was analysed by molecular dynamics simulation via the software Gromacs.The energy changes and distribution were revealed by mm_pbsa.pl tools in Amber9.At last,important amino acids were confirmed by the analysis of hydrogen bond with LIGPLOT+.The results suggested that different mutations didn't change the 2D and 3D structures of PDS,but mutated PDS showed higher RMSD,which indicated lower binding stablity,and higher bingding energy,which indicated the difficulity to bind to noflurazon.Molecular evidence of mutated PDS resistomce to norflurazon was found.关键词
八氢番茄红素脱氢酶/达草灭/分子动力学模拟/抗性Key words
Phytoene desaturase/norflurazon/molecular dynamics simulation/resistance分类
生物科学引用本文复制引用
黄国周,李圆圆,邓鹏程,白林含..八氢番茄红素脱氢酶的分子结构及其与达草灭相互作用分析[J].四川大学学报（自然科学版）,2017,54(4):874-880,7.基金项目
国家自然科学基金(No.30970043) （No.30970043）
