%0 Journal Article
%T InteractiveStudybetweenTwoTypesof1-[2-(Hydroxyethoxy)methyl]-6-naphthylmethylthymines
%A MENGGe(孟歌)
%A CHENFen-er(陈芬儿)
%A DeClercqErik
%A etal.
%J 过程工程学报
%D 2003
%X Twodifferenttypesof1-[2-(hydroxyethoxy)methyl]-6-naphthylmethylthymineshavebeendesigned,synthesizedandevaluatedfortheiranti-HIV-1activitiesindifferentcellslines.Thebindingfreeenergy(DG)includingstericandelectrostaticbetweenthetwodifferentligandsandreversetranscriptaseNon-NucleosideBindingPocket(NNBP)havebeendockedandcalculatedtoevaluatetheiraccommodationcircumstanceonaSGIworkstation.TheDGandanti-HIV-1activityhasbeencorrelatedinordertoguidefurtherdrugdesign,whichshowedthatthestericbindingeffectdominatedinthewholebindingactionbetweenthecompoundsandreversetranscriptase(RT).TheresultsshowedthatmorenegativeDGledtohigheractivityofcompounds.
%K HIV-1reversetranscriptase
%K bindingfreeenergy
%K 6-napththylmethylHEPTanalogs
%K anti-HIVactivity
%U http://www.jproeng.com/qikan/Cpaper/zhaiyao.asp?bsid=1021