%0 Journal Article
%T l-鸟氨酸及其取代衍生物的结构和性质分析
%A mohamed
%A imran
%A p.
%A k.
%A subramani
%A k.
%J 物理化学学报
%D 2009
%X ？l-ornithineisametabolicproductofl-arginineandisfoundintheliverandothertissuesaftertheenzymearginaseintheureacyclecatalysesthereaction.thepresenceofl-ornithinehasaninfluenceoncertainbiochemicalactivitiessuchastheproliferationofcollagenproductionandalsohasaneffectonairwayresponsiveness.therefore,ithasaroletoplayintheavailabilityofnitricoxide(no).abriefreactivitystudywascarriedoutforvarioussubstituentsattheα-catomofthisaminoacid.substituentssuchaschlorineandfluorineaffectthereactivityoftheentiremoleculeandmayalterthepropertiesoftheaminoacid.tounderstandthepropertiesofmolecule,adetailedstudywasdoneatthedensityfunctionaltheory(dft)levelandcomparedwithabinitiocalculations.fukuifunctionswereinvokedtoassessreactivityandstability.thedescriptivepropertieswerecorrelatedtologporpkausingavailablesoftwaretohelpbuildamodeltoquantitativelyassesspropertiesandreactivity.resultsshowedarandomreactivitypatternuponhalogensubstitutionandthisindicatestheneedtoexercisecautionduringdockingandreactivitystudies.
%K fukuifunction
%K l-ornithine
%K softnessandhardness
%K reactivitydescriptor
%K pka
%K abinitioanddft
%U http://www.whxb.pku.edu.cn/CN/abstract/abstract26794.shtml