The composite solubility versus pH profile and its role in intestinal absorption prediction

AAPS PharmSci

Volumn 5, Issue 1, 2003, Pages

  Hendriksen, Barry A ^a   Sanchez Felix, Manuel V ^a   Bolger, Michael B ^b,c  

^a ELI LILLY AND COMPANY   (United States)

^b UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^c Simulations Plus Inc   (United States)

Author keywords

Absorption simulation; BCS; GIT; pH solubility curve; Solid state properties; Solubility screening

Indexed keywords

DRUG;

ACIDITY; ARTICLE; DRUG ABSORPTION; DRUG CLASSIFICATION; DRUG PENETRATION; DRUG SOLUBILITY; GASTROINTESTINAL TRACT FUNCTION; INTESTINE ABSORPTION; PH; QUALITATIVE ANALYSIS; SENSITIVITY ANALYSIS; VALIDATION PROCESS; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; COMPUTER SIMULATION; DIGESTIVE FUNCTION; DIGESTIVE SYSTEM; DOSE RESPONSE; GASTROINTESTINAL TRANSIT; HUMAN; METABOLISM; PHARMACOKINETICS; PHYSIOLOGY; PREDICTION AND FORECASTING; QUALITY CONTROL; SOLUBILITY;

BENCHMARKING; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; DIGESTIVE PHYSIOLOGY; DIGESTIVE SYSTEM; DOSE-RESPONSE RELATIONSHIP, DRUG; GASTROINTESTINAL TRANSIT; HUMANS; HYDROGEN-ION CONCENTRATION; INTESTINAL ABSORPTION; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS; PREDICTIVE VALUE OF TESTS; SOFTWARE VALIDATION; SOLUBILITY;

EID: 0346040093     PISSN: 15221060     EISSN: None     Source Type: Journal    
DOI: 10.1208/ps050104     Document Type: Article

References (22)

1. Simulations Plus, Inc. Available at: . http://www.simulations-plus.com/
2. Press WH. Numerical recipes. In: Teukolsky SA, Vetterling WT, Flannery BP, eds. C: The Art of Scientific Computing. New York, NY: Cambridge University Press; 1992: 566-580.
3. Ungell A-L, Nylander S, Bergstrand S, Sjöberg Á, Lennernäs H. Membrane transport of drugs in different regions of the intestinal tract of the rat. J Pharm Sci. 1998;87(3):360-366.
4. Adson A, Burton PS, Raub TJ, Barsuhn CL, Audus KL, Ho NF. Passive diffusion of weak organic electrolytes across Caco-2 cell monolayers: uncoupling the contributions of hydrodynamic, transcellular, and paracellular barriers. J Pharm Sci. 1995;84(10):1197-1204.
5. Selick HE, Beresford AP, Tarbit MH. The emerging importance of predictive ADME simulation in drug discovery. Drug Discov Today. 2002;7(2):109-116.
6. Amidon GL, Lennemas H, Shah VP, Crison JR. A theoretical basis for a biopharmaceutic drug classification: the correlation of in vitro drug product dissolution and in vivo bioavailability. Pharm Res. 1995;12(3):420-423.
7. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev. 1997;23(1-3):3-25.
8. Devane J. Oral drug delivery technology: addressing the solubility/permeability paradigm. Pharm Technol. 1998; Nov:68-80.
9. Hussein AS, Lesko LJ, Lo KY, Shah VP, Volpe D, Williams RL. The biopharmaceutics classification system: highlights of the FDA's draft guidance. Dissolution technologies. 1999; May, article 1. Available at: . http://www.dissolutiontech.com/DTresour/599articles/ Biopharm_Class2_copy.html
10. Blume HH, Schug BS. The Biopharmaceutics Classification System (BCS): class III drugs - better candidates for BA/BE waiver? Eur J Pharm Sci. 1999;9:117-121.
11. Streng WH, His SK, Helms PE, Tan HGH. General treatment of pH-solubility profiles of weak acids and bases and the effects of different acids on the solubility of a weak base. J Pharm Sci. 1984;73(12):1679-1684.
12. Kramer SF, Flynn GL. Solubility of organic hydrochlorides. J Pharm Sci. 1972;61(12):1896-1904.
13. Jorgensen WL, Duffy EM. Prediction of drug solubility from structure. Adv Drug Deliv Rev. 2002;54:355-366.
14. Parshad H, Frydenvang K, Liljefors T, Larsen CS. Correlation of aqueous solubility of salts of benzylamine with experimentally and theoretically derived parameters: a multivariate data analysis approach. Int J Pharm. 2002;237:193-207.
15. Bergstrom CAS, Norinder U, Luthman K, Artursson P. Experimental and computational screening models for prediction of aqueous drug solubility. Pharm Res. 2002;19(2):182-188.
16. Maeda H, Wu J, Sawa T, Matsumura Y, Hori K. Tumor vascular permeability and the EPR effect in macromolecular therapeutics: a review. J Controlled Rel. 2000;65:271-284.
17. Gao H, Shanmugasundaram V, Lee P. Estimation of aqueous solubility of organic compounds with QSPR approach. Pharm Res. 2002;19(2):497-503.
18. Yoshida F, Topliss JG. QSAR model for drug human oral bioavailability. J Med Chem. 2000;43:2575-2585.
19. Balon K, Riebesehl BU, Muller BW. Drug liposome partitioning as a tool for the prediction of human passive intestinal absorption. Pharm Res. 1999;16(6):882-888.
20. Wells JI. Pharmaceutical Preformulation. Chichester, England: Ellis Horwell Ltd; 1988:14.
21. "Clinical Pharmacology," online at Gold Standard Multimedia. Available at:. http://www.gsm.com/
22. ACD Labs, Toronto, Canada.