Multiple pharmacokinetic parameter prediction for a series of cephalosporins

Journal of Pharmaceutical Sciences

Volumn 92, Issue 3, 2003, Pages 552-559

  Turner, Joseph V ^a   Maddalena, Desmond J ^b   Cutler, David J ^a   Agatonovic Kustrin, Snezana ^c  

^a UNIVERSITY OF SYDNEY   (Australia)

^b University of Sydney   (Australia)

^c UNIVERSITY OF SOUTH AUSTRALIA   (Australia)

Author keywords

ANN; Multiple output; QSPkR; QSPR; Theoretical descriptors

Indexed keywords

CEFACLOR; CEFADROXIL; CEFALEXIN; CEFALOTIN; CEFAMANDOLE; CEFAPIRIN; CEFAZOLIN; CEFIXIME; CEFONICID; CEFOPERAZONE; CEFORANIDE; CEFOTAXIME; CEFPROZIL; CEFRADINE; CEFTEZOLE; CEFTIZOXIME; CEFTRIAXONE; CEPHALOSPORIN DERIVATIVE; LORACARBEF;

ARTICLE; ARTIFICIAL NEURAL NETWORK; DRUG CLEARANCE; DRUG DEVELOPMENT; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG HALF LIFE; DRUG PROTEIN BINDING; DRUG STRUCTURE; DRUG TRANSPORT; KIDNEY CLEARANCE; MOLECULAR MODEL; PREDICTION; QUANTITATIVE ANALYSIS; URINARY EXCRETION;

EID: 0037369923     PISSN: 00223549     EISSN: None     Source Type: Journal    
DOI: 10.1002/jps.10314     Document Type: Article

References (44)

1. Grass GM, Sinko PJ. 2002. Physiologically based pharmacokinetic simulation modelling. Adv Drug Deliv Rev 54:433-451.
2. Poulin P, Theil FP. 2002. Prediction of pharmacokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition. J Pharm Sci 91:1358-1370.
3. Van der Graaf PH, Nilsson J, Van Schaick EA, Danhof M. 1999. Multivariate quantitative structure-pharmacokinetic relationships (QSPKR) analysis of adenosine A1 receptor agonists in rat. J Pharm Sci 88:306-312.
4. Agatonovic-Kustrin S, Beresford R. 2000. Basic concepts of artificial neural network (ANN) modeling and its application in pharmaceutical research. J Pharm Biomed Anal 22:717-727.
5. Zadeh LA. 1996. The roles of fuzzy logic and soft computing in the conception, design, and deployment of intelligent systems. BT Technol J 14:32-36.
6. Gobburu JVS, Shelver WH. 1995. Quantitative structure-pharmacokinetic relationships (QSPR) of beta blockers derived using neural networks. J Pharm Sci 84:862-865.
7. QikProp (software). 2001. New York: Schrödinger.
8. Cerius 2 (software). 2001. San Diego, CA: Accelrys.
9. Langowski J, Long A. 2002. Computer systems for the prediction of xenobiotic metabolism. Adv Drug Deliv Rev 54:407-415.
10. Herman RA, Veng-Pedersen P. 1994. Quantitative structure-pharmacokinetic relationships for systemic drug distribution kinetics not confined to a congeneric series. J Pharm Sci 83:423-428.
11. Sides GD, Franson TR, DeSante KA, Black HR. 1988. A comprehensive review of the clinical pharmacology and pharmacokinetics of cefaclor. Clin Ther 11:5-19.
12. Brumfitt W, Hamilton-Miller JM. 1999. Cefaclor into the millennium. J Chemother 11:163-178.
13. Welling PG, Selen A, Pearson JG, Kwok F, Rogge MC, Ifan A, Marrero D, Craig WA, Johnson CA. 1985. A pharmacokinetic comparison of cephalexin and cefadroxil using HPLC assay procedures. Biopharm Drug Dispos 6:147-157.
14. Aziz NS, Gambertoglio JG, Lin ET, Grausz H, Benet LZ. 1978. Pharmacokinetics of cefamandole using a HPLC assay. J Pharmacokinet Biopharm 6:153-164.
15. Scheld WM, Spyker DA, Donowitz GR, Bolton WK, Sande MA. 1981. Moxalactam and cefazolin: Comparative pharmacokinetics in normal subjects. Antimicrob Agents Chemother 19:613-619.
16. Brogden RN, Campoli-Richards DM. 1989. Cefixime: A review of its antibacterial activity - Pharmacokinetic properties and therapeutic potential. Drugs 38:524-550.
17. Ko H, Cathcart KS, Griffith DL, Peters GR, Adams WJ. 1989. Pharmacokinetics of intravenously administered cefmetazole and cefoxitin and effects of probenecid on cefmetazole elimination. Antimicrob Agents Chemother 33:356-361.
18. Dudley MN, Quintiliani R, Nightingale CH. 1984. Review of cefonicid, a long-acting cephalosporin. Clin Pharm 3:23-32.
19. Lode H, Kemmerich B, Koeppe P, Belmega D, Jendroschek H. 1980. Comparative pharmacokinetics of cefoperazone and cefotaxime. Clin Ther 3:80-88.
20. Estey EH, Weaver SS, LeBlanc BM, Brown N, Ho DH, Bodey GP. 1981. Ceforanide kinetics. Clin Pharmacol Ther 30:396-403.
21. Rodondi LC, Flaherty JF, Schoenfeld P, Barriere SL, Gambertoglio JG. 1989. Influence of coadministration on the pharmacokinetics of mezlocillin and cefotaxime in healthy volunteers and in patients with renal failure. Clin Pharmacol Ther 45:527-534.
22. Martin C, Thomachot L, Albanese J. 1994. Clinical pharmacokinetics of cefotetan. Clin Pharmacokinet 26:248-258.
23. Chocas EC, Paap CM, Godley PJ. 1993. Cefpodoxime proxetil: A new, broad-spectrum, oral cephalosporin. Ann Pharmacother 27:1369-1377.
24. Wiseman LR, Benfield P. 1993. Cefprozil: A review of its antibacterial activity, pharmacokinetic properties, and therapeutic potential. Drugs 45:295-317.
25. Barriere SL, Flaherty JF. 1984. Third-generation cephalosporins: A critical evaluation. Clin Pharm 3:351-373.
26. Yuk JH, Nightingale CH, Quintiliani R. 1989. Clinical pharmacokinetics of ceftriaxone. Clin Pharmacokinet 17:223-235.
27. Spyker DA, Thomas BL, Sande MA, Bolton WK. 1978. Pharmacokinetics of cefaclor and cephalexin: Dosage nomograms for impaired renal function. Antimicrob Agents Chemother 14:172-177.
28. Bergan T. 1987. Pharmacokinetic properties of the cephalosporins. Drugs 34:89-104.
29. Bergan T. 1977. Comparative pharmacokinetics of cefazolin, cephalothin, cephacetril, and cephapirine after intravenous administration. Chemotherapy 23:389-404.
30. Schwinghammer TL, Norden CW, Gill E. 1990. Pharmacokinetics of cephradine administered intravenously and orally to young and elderly subjects. J Clin Pharmacol 30:893-899.
31. Brogden RN, McTavish D. 1993. Loracarbef: A review of its antimicrobial activity, pharmacokinetic properties, and therapeutic efficacy. Drugs 45:716-736.
32. Sitar DS, Hoban DJ, Aoki FY. 1994. Pharmacokinetic disposition of loracarbef in healthy young men and women at steady state. J Clin Pharmacol 34: 924-929.
33. Agatonovic-Kustrin S, Beresford R, Yusof APM. 2001. Theoretically-derived molecular descriptors important in human intestinal absorption. J Pharm Biomed Anal 25:227-237.
34. Hosseini M, Maddalena DJ, Spence I. 1997. Using artificial neural networks to classify the activity of capsaicin and its analogues. J Chem Inf Comput Sci 37:1129-1137.
35. Bucinski A, Nasal A, Kaliszan R. 2000. Pharmacological classification of drugs based on neural network processing of molecular modeling data. Comb Chem High Throughput Screen 3:525-533.
36. Fouchecourt MO, Beliveau M, Krishnan K. 2001. Quantitative structure-pharmacokinetic relationship modelling. Sci Total Environ 274:125-135.
37. Hinderling PH, Schmidlin O, Seydel JK. 1984. Quantitative relationships between structure and pharmacokinetics of beta-adrenoceptor blocking agents in man. J Pharmacokinet Biopharm 12: 263-287.
38. Hinderling PH, Schmidlin O, Seydel JK. 1984. Erratum: Quantitative relationships between structure and pharmacokinetics of beta-adrenoceptor blocking agents in man. J Pharmacokinet Biopharm 12:659-666.
39. Turner JV, Cutler DJ, Spence I, Maddalena DJ. Selective descriptor pruning for QSAR/QSPR studies using artificial neural networks. J Comput Chem. To appear.
40. Rowland M, Tozer TN. 1980. Clinical pharmacokinetics: Concepts and applications, 1st ed. Philadelphia: Lea & Febiger, pp 81-85.
41. Galvez J, Garcia R, Salabert MT, Soler R. 1994. Charge indexes - New topological descriptors. J Chem Inf Comput Sci 34:520-525.
42. Galvez J, Garciadomenech R, Dejulianortiz JV, Soler R. 1995. Topological approach to drug design. J Chem Inf Comput Sci 35:272-284.
43. Galvez J, Garciadomenech R, Alapont CD, Dejulianortiz JV, Popa L. 1996. Pharmacological distribution diagrams - A tool for de novo drug design. J Mol Graphics 14:272-276.
44. Reinhard M. 1999. Handbook for estimating physicochemical properties of organic compounds. New York: Wiley, pp 39-53.