qsar,dockingstudiesandpharmacophoreidentificationofphenylmethylphenoxypropylaminopropanoicacidderivativesasleukotrienea4hydrolaseinhibitors

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.