Application of three-dimensional quantitative structure-activity relationships of P-glycoprotein inhibitors and substrates

Molecular Pharmacology

Volumn 61, Issue 5, 2002, Pages 974-981

  Ekins, Sean ^a,b,c   Kim, Richard B ^a,b,c   Leake, Brenda F ^a,b,c   Dantzig, Anne H ^a,b,c   Schuetz, Erin G ^a,b,c   Lan, Lu Bin ^a,b,c   Yasuda, Kazuto ^a,b,c   Shepard, Robert L ^a,b,c   Winter, Mark A ^a,b,c   Schuetz, John D ^a,b,c   Wikel, James H ^a,b,c   Wrighton, Steven A ^a,b,c  

^a ELI LILLY AND COMPANY   (United States)

^b VANDERBILT UNIVERSITY   (United States)

^c ST JUDE CHILDREN S RESEARCH HOSPITAL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACEBUTOLOL; CALCEIN; CARVEDILOL; COLCHICINE; DACTINOMYCIN; DIACETOLOL; DIGOXIN; DILEVALOL; DOXORUBICIN; ETOPOSIDE; GALLOPAMIL; GLYCOPROTEIN P; GLYCOPROTEIN P INHIBITOR; LABETALOL; LOPERAMIDE; MITOMYCIN C; MORPHINE; OMEPRAZOLE; PACLITAXEL; PROPRANOLOL; PROTEIN INHIBITOR; QUINIDINE; SUFENTANIL; TALINOLOL; TIAPAMIL; TOLBUTAMIDE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VERAPAMIL; VINBLASTINE; VINCRISTINE;

ARTICLE; BINDING SITE; CONTROLLED STUDY; DRUG ACCUMULATION; DRUG ACTIVITY; DRUG BINDING; DRUG POTENCY; DRUG STRUCTURE; DRUG TRANSPORT; HYDROGEN BOND; HYDROPHOBICITY; IC 50; IN VITRO STUDY; MOLECULAR MODEL; PHARMACOPHORE; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CACO-2 CELLS; HUMANS; MODELS, MOLECULAR; P-GLYCOPROTEIN; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; VERAPAMIL; VINBLASTINE;

EID: 18344364851     PISSN: 0026895X     EISSN: None     Source Type: Journal    
DOI: 10.1124/mol.61.5.974     Document Type: Article

References (25)

1. Co-operative, competitive and noncompetitive interactions between modulators of P-glycoprotein
2. Reversal of P-glycoprotein-mediated multidrug resistaance by a potent cyclopropyldibenzosuberane modulator, LY335979
3. Evidence for two nonidentical drug-interaction sites in the human P-glycoprotein
4. Three dimensional-quantitative structure activity relationship (3D-QSAR) analyses of inhibitors for CYP3A4
5. Three dimensional quantitative structure activity relationship (3D-QSAR) analysis of CYP3A4 substrates
6. Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein
7. Autoactivation and activation of cytochrome P450s
8. 1-adrenergic receptor and the calcium channel bind to a common domain in P-glycoprotein
9. In vitro-in vivo scaling of CYP kinetic data not consistent with the classical Michaelis-Menten model
10. Interrelationship between substrates and inhibitors of human CYP3A and P-glycoprotein
11. Evaluation of atypical cytochrome P450 kinetics with two-substrate-models: Evidence that multiple substrates can simultaneously bind to cytochrome P450 active sites
12. Competitive and allosteric interactions in ligand binding to P-glycoprotein as observed on an immobilized P-glycoprotein liquid chromatographic stationary phase
13. Affinities at the verapamil binding site of MDR1-encoded P-glycoprotein: Drugs and analogs, stereoisomers and metabolites
14. Characterization of the major metabolites of verapamil as substrates and inhibitors of P-glycoprotein
15. Essential features of the P-glycoprotein pharmacophore as defined by a series of reserpine analogs that modulate multidrug resistance
16. P-glycoprotein substrates and antagonists cluster into two distinct groups
17. Modulators and substrates of P-glycoprotein and cytochrome P4503A coordinately up-regulate these proteins in human colon carcinoma cells
18. Stimulation of P-glycoprotein-mediated drug transport by prazosin and progesterone. Evidence for a third site
19. Positively cooperative sites for drug transport by P-glycoprotein with distinct drug specificities
20. Effect of modulators on the ATPase activity and vanadate nucleotide trapping of human P-glycoprotein
21. Overlapping substrate specificities and tissue distribution of cytochrome P450 3A and P-glycoprotein: Implications for drug delivery and activity in cancer chemotherapy
22. P-glycoprotein and cytochrome P-450 3A inhibition: Dissociation of inhibitory potencies
23. Interaction between P-glycoprotein and opioids
24. Two transport binding sites of P-glycoprotein are unequal yet contingent: Initial rate kinetic analysis by ATP hydrolysis demonstrates intersite dependence
25. SMILES 1. Introduction and encoding rules