Multivariate statistics of disposition pharmacokinetic parameters for structurally unrelated drugs used in therapeutics

Pharmaceutical Research

Volumn 19, Issue 12, 2002, Pages 1827-1834

  Karalis, Vangelis ^a   Tsantili Kakoulidou, Anna ^a   Macheras, Panos ^a  

^a UNIVERSITY OF ATHENS   (Greece)

Author keywords

Apparent volume of distribution; Clearance; Disposition parameters; Fractal clearance; Fractal volume; Multivariate statistics

Indexed keywords

DRUG;

ARTICLE; DISSOCIATION CONSTANT; DRUG CLEARANCE; DRUG DISTRIBUTION; HYDROGEN BOND; IONIZATION; LIPOPHILICITY; MOLECULAR SIZE; PHARMACOKINETICS; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN BINDING;

BIOLOGICAL AVAILABILITY; MODELS, MOLECULAR; MULTIVARIATE ANALYSIS; PHARMACEUTICAL PREPARATIONS; PRINCIPAL COMPONENT ANALYSIS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 12244310481     PISSN: 07248741     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1021489323828     Document Type: Article

References (38)

1. M. O. Fouchécourt, M. Béliveau, and K. Krishnan. Quantitative structure-pharmacokinetic relationship modeling. Sci. Tot. Environm. 274:125-135 (2001).
2. D. Alker, S. F. Cambell, P. E. Cross, R. A. Burges, A. J. Carter, and D. G. Gardiner. Long-acting dihydropyridine calcium antagonists. Synthesis and structure-activity relationships for a series of basic and nonbasic derivatives of 2-[(2-aminoethoxy)methyl]-1,4-dihydropyridine calcium antagonists. J. Med. Chem. 33:586-591 (1990).
3. A. Haj-Yehia and M. Bialer. Structure-pharmacokinetic relationships in a series of valpromide derivatives with antiepileptic activity. Pharm. Res. 6:683-689 (1989).
4. E. Toma. Structure-activity relationship of quinolones. Clin. Invest. Med. 12:7-9 (1989).
5. G. V. Betageri and J. A. Rogers. Correlation of partitioning of nitroimidazoles in the n-octanol/saline and liposome systems with pharmacokinetic parameters and quantitative structure-activity relationships (QSAR). Pharm. Res. 6:399-403 (1989).
6. C. T. Gombar, R. M. Demarinis, M. Wise, and B. A. Mico. Pharmacokinetics of a series of 6-chloro-2,3,4,5-tetrahydro-3-substituted-1H-3-benzazepines in rats. Determination of quantitative structure-pharmacokinetic relationships. Drug Metab. Dispos. 16:367-372 (1988).
7. T. Esaki. Quantitative drug design studies. Quantitative structure-activity relationships of ionizable substances: Antibacterial activities of phenols. Chem. Pharm. Bull. 35:3105-3111 (1987).
8. U. Ganzinger. Distribution properties of cephalosporin in man: Pharmacokinetic and experimental approaches. Int. J. Clin. Pharmacol. Ther. Toxicol. 25:262-278 (1987).
9. F. Gaspari and M. Bonati. Correlation between n-octanol/water partition coefficient and liquid chromatographic retention for caffeine and its metabolites, and some structure-pharmacokinetic considerations. J. Pharm. Pharmacol. 39:252-260 (1987).
10. R. S. Markin, W. J. Murray, and H. Boxenbaum. Quantitative structure-activity study on human pharmacokinetic parameters of benzodiazepines using the graph theoretical approach. Pharm. Res. 5:201-208 (1988).
11. E. Okezaki, T. Terasaki, M. Nakamura, O. Negata, H. Kato, and A. Tsuji. Structure-tissue distribution relationship based on physiological pharmacokinetics for NY-198, a new antimicrobial agent, and the related pyridonecarboxylic acids. Drug Metab. Dispos. 16:865-874 (1988).
12. J. V. Gobburu and W. H. Shelver. Quantitative structure-pharmacokinetic relationships (QSPR) of beta blockers derived using neural networks. J. Pharm. Sci. 84:862-865 (1995).
13. R. A. Herman and P. Veng-Pedersen. Quantitative structure-pharmacokinetic relationship for systemic drug. Distribution kinetics not confined to a congeneric series. J. Pharm. Sci. 83:423-428 (1994).
14. W. J. Egan, K. M. Merz, and J. J. Baldwin. Prediction of drug absorption using multivariate statistics. J. Med. Chem. 43:3867-3877 (2000).
15. M. D. Wessel, P. C. Jurs, J. W. Tolan, and S. M. Muskal. Prediction of human intestinal absorption of drug compounds from molecular structure. J. Chem. Inf. Comput. Sci. 38:726-735 (1998).
16. F. Yoshida and J. G. Topliss. QSAR model for drug human oral bioavailability. J. Med. Chem. 43:2575-2585 (2000).
17. X. C. Fu and W. Q. Liang. A simple model for the prediction of corneal permeability. Int. J. Pharm. 232:1193-1197 (2002).
18. V. Karalis, L. Claret, A. Iliadis, and P. Macheras. Fractal volume of drug distribution: It scales proportionally to body mass. Pharm. Res. 18:1056-1060 (2001).
19. V. Karalis and P. Macheras. Drug disposition viewed in terms of the fractal volume of distribution. Pharm. Res. 19:697-704 (2002).
20. J. G. Hardman, L. E. Limbird, P. B. Molinoff, R. W. Ruddon, and A. G. Gilman, Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th Ed, The McGraw-Hill companies, New York, 1996.
21. R. Franke and A. Gruska. Principal component and factor analysis. In H. van de Waterbeemd (ed), Chemometric Methods in Molecular Design, VCH, Weinheim, 1995, pp.113-158.
22. L. Eriksson and E. Johansson. Multivariate design and modeling in QSAR. Chemom. Intell. Lab. Syst. 34:1-19 (1996).
23. L. Eriksson, J. L. Hermens, E. Johansson, H. J. Verhaar, and S. Wold. Multivariate analysis of aquatic toxicity data with PLS. Aquatic Sciences 57:217-241 (1995).
24. S. Wold. PLS for multivariate linear modeling. In H. van de Waterbeemd (ed) Chemometric Methods in Molecular Design, VCH, Weinheim, 1995 pp.195-218.
25. R. F. Rekker and H. M. de Kort. The hydrophobic fragmental constant: An extension to a 1000 data point set. Eur. J. Med. Chem. 14:479-488 (1979).
26. A. K. Ghose and G. M. Grippen. Atomic physicochemical parameters for three-dimensional structure-directed quantitative structure-activity relationships. I. Partition coefficients as a measure of hydrophbicity. J. Comput. Chem. 7:565-577 (1986).
27. V. N. Viswanadhan, A. K. Ghose, G. R. Revankar, and R. K. Robins. Atomic physicochemical parameters for three-dimensional structure-directed quantitative structure-activity relationships. Additional parameters for hydrophobic and dispersive interactions and their application. J. Chem. Inf. Comput. Sci. 29:163-172 (1989).
28. T. I. Oprea. Property distribution of drug-related chemical databases. J. Comput. Aided Mol. Des. 14:251-264 (2000).
29. S. Wold and L. Eriksson. Validation tools. In H. van de Waterbeemd, (ed) Chemometric Methods in Molecular Design, VCH, Weinheim, 1995 pp.309-318.
30. T. I. Oprea and J. Gottfries. Toward minimalistic modeling of oral drug absorption. J. Mol. Graphics Mod. 17:261-274 (1999).
31. S. Winiwarter, N. M. Bonham, F. Ax, A. Hallberg, H. Lennernas, and A. Karlén. Correlation of human jejunal permeability (in vivo) of drugs with experimentally and theoretically derived parameters. A multivariate data analysis. J. Med. Chem. 41:4939-4949 (1998).
32. S. Qie. Drug distribution and binding. J. Clin. Pharmacol. 26:583-586 (1996).
33. M. Wise. Negative power functions of time in pharmacokinetics and their implications. J. Pharmacokinet. Biopharm. 13:309-346 (1985).
34. J. B. Bassingthwaighte and D. A. Beard. Fractal 150-labeled water washout from the heart. Circ. Res. 77:1212-1221 (1995).
35. P. Macheras. A fractal approach to heterogeneous drug distribution: Calcium pharmacokinetics. Pharm. Res. 13:663-670 (1996).
36. K. H. Norwich. Noncompartmental models of whole-body clearance of tracers: A review. Ann. Biomed. Eng. 25:421-439 (1997).
37. M. Weiss. The anomalous pharmacokinetics of amiodarone explained by nonexponential tissue trapping. J. Pharmacokinet. Biopharm. 27:383-396 (1999).
38. L. Claret, A. Illiadis, and P. Macheras. A stochastic model describes the heterogeneous pharmacokinetics of cyclosporin. J. Pharmacokinet. Pharmacodyn. 28:445-463 (2001).