当前位置:文库下载 > 所有分类 > 自然科学 > 化学 > 配合物DFT计算4
侵权投诉

配合物DFT计算4

配合物DFT计算4

ResChemIntermed(2012)38:1999–2008

DOI10.1007/s11164-012-0521-1

Synthesis,bioactivityandDFTstructure–activity

relationshipstudyofnovel1,2,3-thiadiazolederivativesXing-HaiLiu Wei-GuangZhao Bao-LeiWang

Zheng-MingLi

Received:6January2012/Accepted:26February2012/Publishedonline:14March2012

ÓSpringerScience+BusinessMediaB.V.2012

AbstractAseriesofnovel1,2,3-thiadiazolederivativesweredesignedandsynthesized.Theirstructureswerecharacterizedby1HNMR,MSandHRMS.Thebioactivitytestsindicatedthatcompound9bexhibitsafavorableKARIinhibitionrate,andsomeofthesenovelcompoundsalsoshowedmoderateherbicidalactivityagainstBrassicacampestris.

Keywords1,2,3-ThiadiazoleÁSynthesisÁKARIactivityÁHerbicidalactivityÁDFTstudy

Introduction

Recently,thedevelopmentofherbicidestargetingatthekeyenzymesinthebiosynthesispathwayofbranchedchainaminoacidshasattractedextensiveattention[1].Somereportedherbicides,suchassulfonylureas[2],imidazolinones

[3],sulfonamide[4],andpyrimidinylbenzoicacids[5],caninhibitthe rstenzyme,acetohydroxyacidsynthase(AHAS),inthebiosynthesispathwayofthebranchedchainaminoacidscalled.Thesuccessoftheseherbicideshasstimulatednumerousresearchinto ndingef cientinhibitorsforotherenzymesinthispathway,suchasketol-acidreductoisomerase(KARI;EC1.1.1.86),whichcatalyzesthesecondkeystep.Furthermore,itwasnoticedthatKARIonlyexistsinmicroorganismsandX.-H.Liu(&)

CollegeofChemicalEngineeringandMaterialsScience,ZhejiangUniversityofTechnology,Hangzhou310014,China

e-mail:xhliu@http://www.wenkuxiazai.com

W.-G.ZhaoÁB.-L.WangÁZ.-M.Li(&)

StateKeyLaboratoryofElemento-OrganicChemistry,NationalPesticidalEngineeringCentre,NankaiUniversity,Tianjin300071,China

123

第1页

猜你喜欢

返回顶部