smith, d pharmacokinetics and metabolism in drug design外语英文电子书

smith, d pharmacokinetics and metabolism in drug design外语英文电子书

ID:7895500

大小:2.19 MB

页数:137页

时间:2018-03-02

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1、PharmacokineticsandMetabolisminDrugDesign1EditedbyD.A.Smith,H.vandeWaterbeemd,D.K.Walker,R.Mannhold,H.Kubinyi,H.TimmermanCopyright©2001Wiley-VCHVerlagGmbHISBNs:3-527-30197-6(Hardcover);3-527-60021-3(Electronic)1PhysicochemistryAbbreviationsCPCCentrifugalp

2、artitionchromatographyCoMFAComparativefieldanalysis3D-QSARThree-dimensionalquantitativestructure–activityrelationshipsIUPACInternationalUnionofPureandAppliedChemistryMLPMolecularlipophilicitypotentialRP-HPLCReversed-phasehighperformanceliquidchromatograph

3、yPGDPPropyleneglycoldipelargonateSFShakeflask,referringtotraditionalmethodtomeasurelogPorlogDSymbols∆logDDifferencebetweenlogDinoctanol/waterandlogDinalkane/water∆logPDifferencebetweenlogPinoctanol/waterandlogPinalkane/waterfRekkerorLeo/Hanschfragmentalco

4、nstantforlogPcontributionKaIonizationconstantΛPolarityterm,mainlyrelatedtohydrogenbondingcapabilityofasolutelogPLogarithmofthepartitioncoefficient(P)ofneutralspecieslogDLogarithmofthedistributioncoefficient(D)ataselectedpH,usuallyassumedtobemeasuredinocta

5、nol/waterlogDoctLogarithmofthedistributioncoefficient(D)ataselectedpH,measuredinoctanol/waterlogDchexLogarithmofthedistributioncoefficient(D)ataselectedpH,measuredincyclohexane/waterlogD7.4Logarithmofthedistributioncoefficient(D)atpH7.4MWMolecularweightπH

6、anschconstant;contributionofasubstituenttologPpKaNegativelogarithmoftheionizationconstantKa21Physicochemistry1.1PhysicochemistryandPharmacokineticsThebodycanbeviewedasprimarilycomposedofaseriesofmembranebarriersdi-vidingaqueousfilledcompartments.Thesememb

7、ranebarriersarecomprisedprin-cipallyofthephospholipidbilayerswhichsurroundcellsandalsoformintracellularbarriersaroundtheorganellespresentincells(mitochondria,nucleus,etc.).Theseareformedwiththepolarionizedheadgroupsofthephospholipidfacingtowardstheaqueous

8、phasesandthelipidchainsprovidingahighlyhydrophobicinnercore.Tocrossthehydrophobicinnercoreamoleculemustalsobehydrophobicandabletosheditshydrationsphere.Manyoftheprocessesofdrugdispositiondependontheabilityorinabilit

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