럼핑법을 이용한 생리학 기반 약물동태모델 및 구획화 약물동태모델 상호 호환 연구: 보리코나졸 적용 연구
Compatibility Study between Physiologically Based Pharmacokinetic (PBPK) and Compartmental PK Model Using Lumping Method: Application to the Voriconazole Case
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Background: Generally, pharmacokinetics (PK) models could be stratified into two models. The compartment PK model uses the concept of simple compartmentalization to describe complex bodies, and the physiologically based pharmacokinetic (PBPK) model describes the body using multi-compartment networking. Notwithstanding sharing a theoretical background in both models, there was still a lack of knowledge to enhance compatibility in both models. Objective: This study aimed to evaluate the compatibility among PBPK, lumping model and compartment PK model with voriconazole PK case study. Methods: The number of compartments and blood flow on each tissue in the PBPK model were modified using the lumping method, considering physiological similarities. The concentration-time profiles and area under the concentration-time curve (AUC) parameters were simulated at each model, assuming taken voriconazole oral 400 mg single dose. After that, those mentioned PK parameters were compared. Results: The PK profiles and parameters of voriconazole in the three models were similar that proves their compatibility. The AUC of central compartment in the PBPK and lumping model was within a 2-fold range compared to those in the 2-compartment model. The AUC of non-eliminating tissues compartment in the PBPK model was similar to those in the lumping model. Conclusion: Regarding the compatibility of the three PK models, the utilization of the lumping method was confirmed by suggesting its reliable PK parameters with PBPK and compartment PK models. Further case studies are recommended to confirm our findings.
Abstract
Background: Generally, pharmacokinetics (PK) models could be stratified into two models. The compartment PK model uses the concept of simple compartmentalization to describe complex bodies, and the physiologically based pharmacokinetic (PBPK) model describes the body using multi-compartment networking. Notwithstanding sharing a theoretical background in both models, there was still a lack of knowledge to enhance compatibility in both models. Objective: This study aimed to evaluate the compatibility among PBPK, lumping model and compartment PK model with voriconazole PK case study. Methods: The number of compartments and blood flow on each tissue in the PBPK model were modified using the lumping method, considering physiological similarities. The concentration-time profiles and area under the concentration-time curve (AUC) parameters were simulated at each model, assuming taken voriconazole oral 400 mg single dose. After that, those mentioned PK parameters were compared. Results: The PK profiles and parameters of voriconazole in the three models were similar that proves their compatibility. The AUC of central compartment in the PBPK and lumping model was within a 2-fold range compared to those in the 2-compartment model. The AUC of non-eliminating tissues compartment in the PBPK model was similar to those in the lumping model. Conclusion: Regarding the compatibility of the three PK models, the utilization of the lumping method was confirmed by suggesting its reliable PK parameters with PBPK and compartment PK models. Further case studies are recommended to confirm our findings.
참고문헌 (50)
- 강원호, "신약개발 과정에서 약물대사 및 약동학 연구의 역할 변화", 약 학 회 지, 63(3), pp.121~130 (2019), 대한약학회[DOI]
- Urso R, "A short introduction to pharmacokinetics", Eur Rev Med Pharmacol Sci, 6(2-3), pp.33~44 (2002)
- Aarons L, "Physiologically based pharmacokinetic modelling : a sound mechanistic is needed", Br J Clin Pharmaccol, 60(6), pp.581~583 (2005)
- Luu KT, "Modeling, simulation, and translation framework for the preclinical development of monoclonal antibodies", AAPS J, 15(2), pp.551~558 (2013)
- Lin Z, "Mathematical modeling and simulation in animal health-Part II: principles, methods, applications, and value of physiologically based pharmacokinetic modeling in veterinary medicine and food safety assessment", J Vet Pharmacol Ther, 39(5), pp.421~438 (2016)
- Ahmed TA, "Basic pharmacokinetic concepts and some clinical applications", pp.53~55 (2015), IntechOpen
- Khojastech SC, "Drug metabolism and pharmacokinetics quick guide", pp.8~11 (2011), Springer
- Southwood R, "Concepts in clinical pharmacokinetics", pp.81~87 (2018), American Society of Health-System Pharmacists Inc
- Jones H, "Basic concepts in physiologically based pharmacokinetic modeling in drug discovery and development", CPT Pharmacometrics Syst Pharmacol, 2(8), pp.1~12 (2013)
- Rowland M, "Physiologically-based pharmacokinetics in drug development and regulatory science", Annu Rev Pharmacol Toxicol, 51(1), pp.45~73 (2011)
- Teorell T, "Kinetics of distribution of substances administered to the body", Arch Intern Pharmacodyn Ther, 57, pp.205~225 (1937)
- Bischoff KB, "Methotrexate pharmacokinetics", J Pharm Sci, 60(8), pp.1128~1133 (1971)
- Khalil F, "Physiologically based pharmacokinetic modeling:methodology, applications, and limitations with a focus on its role in pediatric drug development", J Biomed Biotechnol, 2011, pp.1~13 (2011)
- 신나영, "생리학 기반 약물동태(PBPK, Physiologically Based Pharmacokinetic) 모델링을 이용한 소아 약물 동태 예측 연구", 약 학 회 지, 59(1), pp.29~39 (2015), 대한약학회
- "Guidance for Industry: In Vitro Drug Interaction Studies-Cytochrome P450 Enzyme- and Transporter-Mediated Drug Interactions 2020"[URL]
- Gerlowski LE, "Physiologically based pharmacokinetic modeling : principles and applications", J Pharma Sci, 72(10), pp.1103~1127 (1983)
- Charnick SB, "Physiologically based pharmacokinetic modeling as a tool for drug development", J Pharmacokin Biopharm, 23(2), pp.217~229 (1995)
- Anderson ME, "Physiologically based pharmacokinetic(PB-PK)models in the study of the disposition and biological effects of xenobiotics and drugs", Toxicol Lett, 82-83, pp.341~348 (1995)
- Bernareggi A, "Physiologic modeling of cyclosporine kinetics in rat and man", J Pharmacokin Biopharm, 19(1), pp.21~50 (1991)
- Okino MS, "Simplification of mathematical models of chemical reaction systems", Chem Rev, 98(2), pp.391~408 (1998)
- Walsh TJ, "Treatment of aspergillosis : clinical practice guidelines of the Infectious Diseases Society of America", Clin Infect Dis, 46(3), pp.327~360 (2008)
- Badiee P, "Opportunistic invasive fungal infections : diagnosis & clinical management", Indian J Med Res, 139(2), pp.195~204 (2014)
- Mitsani D, "Prospective, observational study of voriconazole therapeutic drug monitoring among lung transplant recipients receiving prophylaxis: factors impacting levels of and associations between serum troughs, efficacy, and toxicity", Antimicrob Agents Chemother, 56(5), pp.2371~2377 (2012)
- Park WB, "The effect of therapeutic drug monitoring on safety and efficacy of voriconazole in invasive fungal infections : a randomized controlled trial", Clin Infect Dis, 55(8), pp.1080~1087 (2012)
- Chu HY, "Voriconazole therapeutic drug monitoring : retrospective cohort study of the relationship to clinical outcomes and adverse events", BMC Infect Dis, 13(1), pp.105~ (2013)
- Sandherr M, "Pharmacology and metabolism of voriconazole and posaconazole in the treatment of invasive aspergillosis-review of the literature", Eur J Med Res, 16(4), pp.139~144 (2011)
- Theuretzbacher U, "Pharmacokinetic", pharmacodynamic profile of voriconazole, 2006, pp.45(7), 649~663
- Andes D, "Antifungal therapeutic drug monitoring : established and emerging indications", Antimicrob Agents Chemother, 53(1), pp.24~34 (2009)
- Chen Y, "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, 33(2), pp.85~98 (2012)
- Jones HM, "A novel strategy for physiologically based predictions of human pharmacokinetics", Clin Pharmacokinet, 45(5), pp.511~542 (2006)
- Sinha VK, "From preclinical to human-prediction of oral absorption and drugdrug interaction potential using physiologically based pharmacokinetic(PBPK)modeling approach in an industrial setting : a workflow by using case example", Biopharm Drug Dispos, 33(2), pp.111~121 (2012)
- Peters SA, "Early identification of drug-induced impairment of gastric emptying through physiologically based pharmacokinetic(PBPK)simulation of plasma concentration-time profiles in rat", J Pharmacokinet Pharmacodyn, 35(1), pp.1~30 (2008)
- Nestorov IA, "Lumping of whole-body physiologically based pharmacokinetic models", J Pharmacokin Biopharm, 26(1), pp.21~46 (1998)
- Pilari S, "Lumping of physiologically-based pharmacokinetic models and a mechanistic derivation of classical compartmental models", J Pharmacokinet Pharmacodyn, 37(4), pp.365~405 (2010)
- Zane NR, "A physiologically based pharmacokinetic model for voriconazole disposition predicts intestinal first-pass metabolism in children", Clin Pharmacokinet, 53(12), pp.1171~1182 (2014)
- Sager JK, "Solubility and dissolution rate enhancement of antifungal voriconazole by hot melt extrusion and development of sustained release tablets", World J Pharma Res, 3(4), pp.1827~1853 (2014)
- Qi F, "Influence of different proton pump inhibitors on the pharmacokinetics of voriconazole", Int J Antimicrob Agents, 49(4), pp.403~409 (2017)
- Li M, "Assessment of drug-drug interactions between voriconazole and glucocorticoids", J Chemother, 30(5), pp.296~303 (2018)
- Zhang Y, "Application of a physiologically based pharmacokinetic model to characterize timedependent metabolism of voriconazole in children and support dose optimization", Front Pharmacol, 12, pp.636097~ (2021)
- Li X, "A physiologically based pharmacokinetic model of voriconazole integrating time-dependent inhibition of CYP3A4, genetic polymorphisms of CYP2C19 and predictions of drug-drug interactions", Clin Pharmacokinet, 59(6), pp.781~808 (2020)
- "International Commission on Radiological Protection. Basic anatomical and physiological data for use in radiological protection:reference values 2002"[URL]
- Poulin P, "Prediction of pharmacokinetics prior to in vivo studies. 1. mechanism-based prediction of volume of distribution", J Pharm Sci, 91(1), pp.129~156 (2002)
- Willmann S, "Development of a physiology-based whole-body population model for assessing the influence of individual variability on the pharmacokinetics of drugs", J Pharmacokinet Pharmacodyn, 34(3), pp.401~431 (2007)
- Elmokadem A, "Quantitative systems pharmacology and physiologically-based pharmacokinetic modeling with mrgsolve : a hands-on tutorial", CPT Pharmacometrics Syst Pharmacol, 8(12), pp.883~893 (2019)
- Yanni SB, "In vitro hepatic metabolism explains higher clearance of voriconazole in children versus adults : role of CYP2C19 and Flavin-containing monooxygenase 3", Drug Metab Dispos, 38(1), pp.25~31 (2010)
- Friberg LE, "Integrated population pharmacokinetic analysis of voriconazole in children, adolescents, and adults", Antimicrob Agents Chemother, 56(6), pp.3032~3042 (2012)
- Liu P, "Population pharmacokinetic analysis of voriconazole and anidulafungin in adult patients with invasive aspergillosos", Antimicrob Agents Chemother, 58(8), pp.4718~4726 (2014)
- Muto C, "Population pharmacokinetic analysis of voriconazole from a pharmacokinetic study with immunocompromised Japanese pediatric subjects", Antimicrob Agents Chemother, 59(6), pp.3216~3223 (2015)
- 이재은, "Voriconazole의 용량 변경 현황 분석 및 제안", 병원약사회지, 35(3), pp.292~309 (2018), 한국병원약사회[DOI]
- Cao Y, "Applications of minimal physiologically-based pharmacokinetic models", J Pharmacokinet Pharmacodyn, 39(6), pp.711~723 (2012)