%0 Journal Article
%T qsar,dockingstudiesandpharmacophoreidentificationofphenylmethylphenoxypropylaminopropanoicacidderivativesasleukotrienea4hydrolaseinhibitors
%A sonawane
%A lalit
%A v*
%A bari
%A sanjaykumar
%A b
%J ҩѧѧ±¨
%P 615-623
%D 2010
%X theenzymeleukotrienea4(lta4)playsanimportantroleasprecursorofslowreactivesubstancesasltc4,ltd4,andlte4.£¿itisanattractivetargetformolecularmodelingandqsarstudy.£¿oureffortismainlyfocusedonexploringthesarforinhibitorsofthelta4hydrolasethroughdockingstudy,pharmacophoremodelingandmoleculardescriptorstudy.£¿thebindingofthesesmallmoleculesonlta4hydrolaseenzymewasdescribedbythemodelsdevelopedon2dmoleculardescriptors,withgoodpredictivepower(39compounds,6descriptors,r20.98,see0.167,f-value268.53,q20.90,r2adj0.97,p-value<0.0001,sdofresiduals0.15).£¿dockingstudieswereemployedtopresumetheprobablebindingconformationoftheseanaloguesandexploringthesarforthecompounds.£¿thenovelpharmacophorerepresentstheligandfeaturesthatareinvolvedin£¿£¿£¿interactionswiththetargetprotein,aswellasthespacearoundtheligandoccupiedbytheprotein.£¿theeffortsareaimedtodiscoverthesarfortheinhibitorsoflta4hydrolasethroughtechniquesofqsar,dockingandpharmacophore.
%U http://www.yxxb.com.cn:8081/aps/CN/abstract/abstract13703.shtml