The use of modeling tools to drive efficient oral product design

AAPS Journal

Volumn 14, Issue 3, 2012, Pages 591-600

  Mathias, Neil R ^a   Crison, John ^a  

^a BRISTOL MYERS SQUIBB   (United States)

Author keywords

dissolution and absorption; drug development; drug formulation; GastroPlus; modeling and simulation

Indexed keywords

ACTIVE PHARMACEUTICAL INGREDIENT; AMOXICILLIN; BMS COMPOUND A; BMS COMPOUND B; CHEMICAL COMPOUND; FAMOTIDINE; METFORMIN; METOPROLOL TARTRATE; RANITIDINE; UNCLASSIFIED DRUG;

AREA UNDER THE CURVE; BIOEQUIVALENCE; CLINICAL STUDY; COMPARTMENTAL AND TRANSIT MODEL; COMPUTER MODEL; COMPUTER PROGRAM; DRUG ABSORPTION; DRUG BIOAVAILABILITY; DRUG DESIGN; DRUG DEVELOPMENT; DRUG DOSAGE FORM; DRUG FORMULATION; DRUG SOLUBILITY; FOOD; IN VITRO STUDY; IN VIVO STUDY; MATHEMATICAL MODEL; MAXIMUM PLASMA CONCENTRATION; ORAL PRODUCT DESIGN; PARTICLE SIZE; PH; PHYSICOCHEMICAL MODEL; PKA; PREDICTION; REVIEW; SIMULATION;

ADMINISTRATION, ORAL; DOSAGE FORMS; HUMANS; HYDROGEN-ION CONCENTRATION; MODELS, THEORETICAL; SOLUBILITY; THERAPEUTIC EQUIVALENCY;

EID: 84862764756     PISSN: 15507416     EISSN: None     Source Type: Journal    
DOI: 10.1208/s12248-012-9372-3     Document Type: Review

References (33)

1. B Agoram WS Woltosz MB Bolger 2001 Predicting the impact of physiological and biochemical processes on oral drug bioavailability Adv Drug Deliv Rev 50 S41 S67 11576695 10.1016/S0169-409X(01)00179-X 1:CAS:528:DC%2BD3MXntVWku74%3D
2. K Sugano 2009 Introduction to computational oral absorption simulation Expert Opin Drug Metab Toxicol 5 3 25 293 10.1517/17425250902835506
3. JB Dressman K Thelen S Willmann 2011 An update on computational oral absorption simulation Expert Opin Drug Metab Toxicol 7 11 1345 1364 21939427 10.1517/17425255.2011.617743 1:CAS:528:DC%2BC3MXhtlChsrfF
4. S Willmann J Lippert W Schmitt 2005 From physicochemistry to absorption and distribution: predictive mechanistic modeling and computational tools Expert Opin Drug Metab Toxicol 1 1 159 168 16922658 10.1517/17425255.1.1.159 1:CAS:528:DC%2BD2MXmvVGhs7Y%3D
5. N Parrott T Lave 2008 Application of physiologically based absorption models in drug discovery and development Mol Pharm 5 5 760 775 18547054 10.1021/mp8000155 1:CAS:528:DC%2BD1cXntVyntrg%3D
6. N Parrott N Pasquereau P Coassolo T Lave 2005 An evaluation of the utility of physiologically based models of pharmacokinetics in early drug discovery J Pharm Sci 94 2327 2343 16136543 10.1002/jps.20419 1:CAS:528:DC%2BD2MXhtVOrurjK
7. M Kuentz S Nick N Parrott D Rothlisberger 2006 A strategy for preclinical formulation development using GastroPlus as pharmacokinetic simulation tool and a statistical screening design applied to a dog study Eur J Pharm Sci 27 91 99 16219449 10.1016/j.ejps.2005.08.011 1:CAS:528:DC%2BD2MXht1Ontb7O
8. Chen Y, Jin JY, Mukadam S, Malhi V, Kenny JR. Application of IVIVE and PBPK modeling in prospective prediction of clinical pharmacokinetics: strategy and approach during the drug discovery phase with four case studies. Biopharm Drug Dispos. 2012. doi: 10.1002/bdd.1769.
9. H Jones IB Gardner WT Collard PJ Stanley P Oxley NA Hosea D Plowchalk S Gernhardt Lin M Dickins SR Rahavendran BC Jones KJ Watson H Pertinez V Kumar S Cole 2011 Simulation of human intravenous and oral pharmacokinetics of 21 diverse compounds using physiologically based pharmacokinetic modeling Clin Pharmacokinet 50 5 331 347 21456633 10.2165/11539680-000000000-00000 1:CAS:528:DC%2BC3MXntlKlsbc%3D
10. N Parrott V Lukacova G Fraczkiewicz MB Bolger 2009 Predicting pharmacokinetics of drugs using physiologically based modeling-application to food-effects AAPS J 11 45 53 19184451 10.1208/s12248-008-9079-7 1:CAS:528:DC%2BD1MXhtVWru7fP
11. M Rowland C Peck G Tucker 2011 Physiologically-based pharmacokinetics in drug development and regulatory science Annu Rev Pharmacol Toxicol 51 45 73 20854171 10.1146/annurev-pharmtox-010510-100540 1:CAS:528:DC%2BC3MXisFOjurw%3D
12. Y Gao RA Carr JK Spence WW Wang TM Turner JM Lipari JM Miller 2010 A pH-dilution method for estimation of biorelevant drug solubility along the gastrointestinal tract: application to physiologically based pharmacokinetic modeling Mol Pharm 96 4 1516 1526 10.1021/mp100157s
13. SN Battachar EJ Perkins JS Tan LJ Burns 2011 Effect of gastric pH on the pharmacokinetics of a BCS class II compound in dogs: utilization of an artificial stomach and duodenum dissolution model and GastroPlus simulation to predict absorption J Pharm Sci 100 11 4756 4765 10.1002/jps.22669
14. Y Kesisoglou Fand Wu 2008 Understanding the effect of API properties on bioavailability through absorption modeling AAPS J 10 4 516 525 10.1208/s12248-008-9061-4
15. S Willmann K Thelen C Becker JB Dressman J Lippert 2010 Mechanism-based prediction of particle size dependent dissolution and absorption: cilostazol pharmacokinetics in dogs Eur J Pharm Biopharm 76 1 83 94 20554023 10.1016/j.ejpb.2010.06.003 1:CAS:528:DC%2BC3cXhtVektL%2FN
16. A Mitra F Kesisoglou M Beauchamp W Zhu F Chiti Y Wu 2011 Using absorption simulation of gastric pH modulated dog model for formulation development to overcome achlorhydria effect Mol Pharm 8 2216 2223 21981752 10.1021/mp200062a 1:CAS:528:DC%2BC3MXhtlertLrK
17. M Lukacova WS Woltosz MB Bolger 2009 Prediction of modified release pharmacokinetics and pharmacodynamics from in vitro, immediate release, and intravenous data AAPS J 11 2 323 334 19430911 10.1208/s12248-009-9107-2 1:CAS:528:DC%2BD1MXhtVWqs7vM
18. Y Tsume GL Amidon 2010 The biowaiver extension for BCS class III drugs: the effect of dissolution rate on the bioequivalence of BCS class III immediate release drugs predicted by computer simulation Mol Pharm 7 4 1235 1243 20557130 10.1021/mp100053q 1:CAS:528:DC%2BC3cXotVSktbs%3D
19. A Okumo M DiMaso R Löbenberg 2009 Computer simulations using GastroPlus to justify a biowaiver for etoricoxib solid oral products Eur J Pharm Biopharm 72 1 91 98 10.1016/j.ejpb.2008.10.019
20. X Zhang RA Lionberger BA Davit LX Yu 2011 Utility of physiologically based absorption modeling in implementation quality by design in drug development AAPS J 13 1 59 71 21207216 10.1208/s12248-010-9250-9
21. J Crison P Timmins A Keung V Upreti D Boulton B Scheer 2012 Biowaiver approach for biopharmaceutics classification system class 3 compound metformin hydrochloride using in silico modeling J Pharm Sci 101 5 1773 1782 22334460 10.1002/jps.23063 1:CAS:528:DC%2BC38Xit1Wns78%3D
22. LX Yu E Lipka JR Crison GL Amidon 1996 Transport approaches to the biopharmaceutical design of oral drug delivery systems: prediction of intestinal absorption Adv Drug Deliv Rev 19 359 376 11540095 10.1016/0169-409X(96)00009-9 1:CAS:528:DyaK28XjsF2qu7g%3D
23. P Lucker G Moore I Wieselgren O Olofsson R Bergstrand 1990 Pharmacokinetic and pharmacodynamic comparison of Metoprolol CR/ZOK once daily with conventional tablets once daily and in divided doses J Clin Pharmacol 30 S17 S27 2312775 1:STN:280:DyaK3c7oslWrtw%3D%3D
24. M Larsson S Landahl P Lundborg C Regardh 1984 Pharmacokinetics of Metoprolol in healthy, elderly, non-smoking individuals after a single dose and two weeks of treatment Eur J Clin Pharmacol 27 217 222 6499900 10.1007/BF00544048 1:CAS:528:DyaL2MXjvFCmtw%3D%3D
25. T Takagi R Chandrasekharen M Bermejo S Yamashita LX Yu GL Amidon 2006 A provisional biopharmaceutical classification of the top 200 drug products in the United States, Great Britain Spain Japan Mol Pharm 3 6 631 643 1:CAS:528:DC%2BD28XhtVagsr%2FN
26. U Fagerholm M Johansson H Lennernas 1996 Comparison between permeability coefficients in the rat and human jejunum Pharm Res 13 9 1336 1342 8893271 10.1023/A:1016065715308 1:CAS:528:DyaK28XmtFWltLg%3D
27. XC Fu CX Chen GP Wang WQ Liang QS Yu 2005 Prediction of human intestinal absorption using an artificial neural network Pharmazie 60 9 674 676 16222867 1:CAS:528:DC%2BD2MXhtVant7jP
28. AS Hussain P Shivanand RD Johnson 1994 Application of neural computing in pharmaceutical product development: computer aided formulation design Drug Dev Indust Pharm 20 10 1739 1752 10.3109/03639049409038390 1:CAS:528: DyaK2cXksValu7k%3D
29. JE Aguilar-Diaz E Garcia-Montoya JM Sune-Negre P Perez-Lozao M Minarro JR Tico 2012 Predicting orally disintegrating tablets formulations of ibuprofen tablets: an application of the new SeDeM-ODT expert system Eur J Pharm Biopharm 80 638 648 22245156 10.1016/j.ejpb.2011.12.012 1:CAS:528:DC%2BC38Xjs1Cku7k%3D
30. WI Wilson Y Peng LL Ausberger 2005 Generalization of a prototype intelligent hybrid system for hard gelatin capsule formulation development AAPS PharmSciTech 6 3 E449 E447 16354004 10.1208/pt060356
31. Admet Predictor. http://www.simulations-plus.com/
32. Discover and Material Studio. http://accelrys.com/
33. cLogP. http://www.biobyte.com/bb/prod/clogp40.html