Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery.

Article Details

Citation

Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J

Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery.

J Med Chem. 2003 Apr 24;46(9):1716-25.

PubMed ID
12699389 [ View in PubMed
]
Abstract

The ATP-dependent drug efflux pump P-glycoprotein (P-gp) affects the absorption and disposition of many compounds. P-gp may also play role in clinically significant drug-drug interactions. Therefore, it is important to find potential substrates or inhibitors of P-gp early in the drug discovery process. To identify compounds that interact with this transporter, several P-gp assays were validated and compared by testing a set of 28 reference compounds, including inhibitors of cytochrome P450 3A4 (CYP3A4). The assays included in silico predictions, inhibition assays (based on cellular uptake of rhodamine-123 or calcein AM), and functional assays (ATPase activity assay and transcellular transport assay, the latter for a subset of compounds). In addition, species differences were studied in an indirect fluorescence indicator screening assay and test systems expressing porcine, mouse, or human P-gp. Our results suggest that several P-gp assays should be used in combination to classify compounds as substrates or inhibitors of P-gp. Recommendations are given on screening strategies which can be applied to different phases of the drug discovery and development process.

DrugBank Data that Cites this Article

Drug Transporters
DrugTransporterKindOrganismPharmacological ActionActions
AstemizoleP-glycoprotein 1ProteinHumans
Unknown
Inhibitor
Details
CimetidineP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inducer
Details
ClotrimazoleP-glycoprotein 1ProteinHumans
Unknown
Inhibitor
Inducer
Details
DexamethasoneP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Inducer
Details
Dexamethasone acetateP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Inducer
Details
DigoxinP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Inducer
Details
EtoposideP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Details
HydrocortisoneP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inducer
Details
Hydrocortisone aceponateP-glycoprotein 1ProteinHumans
Unknown
Not AvailableDetails
Hydrocortisone acetateP-glycoprotein 1ProteinHumans
Unknown
Not AvailableDetails
Hydrocortisone butyrateP-glycoprotein 1ProteinHumans
Unknown
Not AvailableDetails
Hydrocortisone cypionateP-glycoprotein 1ProteinHumans
Unknown
Not AvailableDetails
Hydrocortisone phosphateP-glycoprotein 1ProteinHumans
Unknown
Not AvailableDetails
Hydrocortisone probutateP-glycoprotein 1ProteinHumans
Unknown
Not AvailableDetails
Hydrocortisone valerateP-glycoprotein 1ProteinHumans
Unknown
Not AvailableDetails
ItraconazoleP-glycoprotein 1ProteinHumans
Unknown
Inhibitor
Details
IvermectinP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Inducer
Details
KetoconazoleP-glycoprotein 1ProteinHumans
Unknown
Inhibitor
Details
MibefradilP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Details
MiconazoleP-glycoprotein 1ProteinHumans
Unknown
Inhibitor
Details
MorphineP-glycoprotein 1ProteinHumans
No
Substrate
Details
NelfinavirP-glycoprotein 1ProteinHumans
No
Substrate
Inhibitor
Inducer
Details
NicardipineP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Details
PimozideP-glycoprotein 1ProteinHumans
Unknown
Inhibitor
Details
QuinidineP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Details
RitonavirP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Inducer
Details
SaquinavirP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Inducer
Details
TerfenadineP-glycoprotein 1ProteinHumans
Unknown
Inhibitor
Details
VinblastineP-glycoprotein 1ProteinHumans
Unknown
Substrate
Inhibitor
Inducer
Details
Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
AstemizoleCytochrome P450 3A4IC 50 (nM)3300N/AN/ADetails
AstemizoleP-glycoprotein 1IC 50 (nM)1300N/AN/ADetails
AstemizoleP-glycoprotein 1IC 50 (nM)300N/AN/ADetails
CimetidineCytochrome P450 3A4IC 50 (nM)15000N/AN/ADetails
CimetidineP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
ClotrimazoleCytochrome P450 3A4IC 50 (nM)20N/AN/ADetails
ClotrimazoleP-glycoprotein 1IC 50 (nM)6700N/AN/ADetails
ClotrimazoleP-glycoprotein 1IC 50 (nM)1300N/AN/ADetails
ColchicineCytochrome P450 3A4IC 50 (nM)>50000N/AN/ADetails
ColchicineP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
CyclosporineCytochrome P450 3A4IC 50 (nM)6500N/AN/ADetails
CyclosporineP-glycoprotein 1IC 50 (nM)800N/AN/ADetails
CyclosporineP-glycoprotein 1IC 50 (nM)500N/AN/ADetails
DexamethasoneCytochrome P450 3A4IC 50 (nM)>50000N/AN/ADetails
DexamethasoneP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
DigoxinP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
ErythromycinCytochrome P450 3A4IC 50 (nM)33000N/AN/ADetails
ErythromycinP-glycoprotein 1IC 50 (nM)43000N/AN/ADetails
ErythromycinP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
EtoposideCytochrome P450 3A4IC 50 (nM)>50000N/AN/ADetails
EtoposideP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
HydrocortisoneCytochrome P450 3A4IC 50 (nM)>50000N/AN/ADetails
HydrocortisoneP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
ItraconazoleCytochrome P450 3A4IC 50 (nM)700N/AN/ADetails
ItraconazoleP-glycoprotein 1IC 50 (nM)30N/AN/ADetails
ItraconazoleP-glycoprotein 1IC 50 (nM)2100N/AN/ADetails
KetoconazoleP-glycoprotein 1IC 50 (nM)1000N/AN/ADetails
KetoconazoleP-glycoprotein 1IC 50 (nM)4800N/AN/ADetails
MibefradilCytochrome P450 3A4IC 50 (nM)130N/AN/ADetails
MibefradilP-glycoprotein 1IC 50 (nM)1500N/AN/ADetails
MibefradilP-glycoprotein 1IC 50 (nM)1800N/AN/ADetails
MiconazoleCytochrome P450 3A4IC 50 (nM)180N/AN/ADetails
MiconazoleP-glycoprotein 1IC 50 (nM)3500N/AN/ADetails
MiconazoleP-glycoprotein 1IC 50 (nM)2000N/AN/ADetails
MidazolamCytochrome P450 3A4IC 50 (nM)8100N/AN/ADetails
MorphineCytochrome P450 3A4IC 50 (nM)>50000N/AN/ADetails
MorphineP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
NicardipineCytochrome P450 3A4IC 50 (nM)420N/AN/ADetails
NicardipineP-glycoprotein 1IC 50 (nM)950N/AN/ADetails
NicardipineP-glycoprotein 1IC 50 (nM)2300N/AN/ADetails
PimozideCytochrome P450 3A4IC 50 (nM)9700N/AN/ADetails
PimozideP-glycoprotein 1IC 50 (nM)800N/AN/ADetails
PimozideP-glycoprotein 1IC 50 (nM)2900N/AN/ADetails
QuinidineP-glycoprotein 1IC 50 (nM)5600N/AN/ADetails
QuinidineP-glycoprotein 1IC 50 (nM)2200N/AN/ADetails
RanitidineCytochrome P450 3A4IC 50 (nM)>50000N/AN/ADetails
RanitidineP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails
RitonavirCytochrome P450 3A4IC 50 (nM)30N/AN/ADetails
RitonavirP-glycoprotein 1IC 50 (nM)1500N/AN/ADetails
RitonavirP-glycoprotein 1IC 50 (nM)12000N/AN/ADetails
SaquinavirCytochrome P450 3A4IC 50 (nM)1500N/AN/ADetails
SaquinavirP-glycoprotein 1IC 50 (nM)1600N/AN/ADetails
SaquinavirP-glycoprotein 1IC 50 (nM)12000N/AN/ADetails
TerfenadineCytochrome P450 3A4IC 50 (nM)320N/AN/ADetails
TerfenadineP-glycoprotein 1IC 50 (nM)1100N/AN/ADetails
TerfenadineP-glycoprotein 1IC 50 (nM)1400N/AN/ADetails
VerapamilP-glycoprotein 1IC 50 (nM)6300N/AN/ADetails
VerapamilP-glycoprotein 1IC 50 (nM)400N/AN/ADetails
VinblastineCytochrome P450 3A4IC 50 (nM)26000N/AN/ADetails
VinblastineP-glycoprotein 1IC 50 (nM)2000N/AN/ADetails
VinblastineP-glycoprotein 1IC 50 (nM)>50000N/AN/ADetails