Microsome composition-based model as a mechanistic tool to predict nonspecific binding of drugs in liver microsomes

Journal of Pharmaceutical Sciences

Volumn 100, Issue 10, 2011, Pages 4501-4517

  Poulin, Patrick ^a   Haddad, Sami ^b  

^a Université de Montréal ^*  (Canada)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

Clearance; Computational ADME; Distribution; In vitro in vivo extrapolation; IVIVE; Metabolic clearance; Metabolism; Microsomes; PBPK modeling; Pharmacokinetics; Unbound fraction

Indexed keywords

DRUG; LIPID; PHOSPHOLIPID; PROTEIN; PROTEIN BINDING;

ANIMAL CELL; ARTICLE; COMPARATIVE STUDY; CONTROLLED STUDY; DRUG BINDING; ERYTHROCYTE; HUMAN; HUMAN CELL; HYDROPHILICITY; IN VITRO STUDY; LIPOPHILICITY; LIVER CLEARANCE; LIVER MICROSOME; MICROSOME COMPOSITION BASED MODEL; MODEL; NONHUMAN; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; PREDICTION; RAT; SENSITIVITY ANALYSIS; ANIMAL; BILIARY EXCRETION; BIOLOGICAL MODEL; BIOTRANSFORMATION; CHEMISTRY; METABOLISM; PH; REPRODUCIBILITY; SPECIES DIFFERENCE;

ANIMALS; BIOTRANSFORMATION; HEPATOBILIARY ELIMINATION; HUMANS; HYDROGEN-ION CONCENTRATION; MICROSOMES, LIVER; MODELS, BIOLOGICAL; PHARMACEUTICAL PREPARATIONS; PHOSPHOLIPIDS; PROTEIN BINDING; RATS; REPRODUCIBILITY OF RESULTS; SPECIES SPECIFICITY;

EID: 80052269343     PISSN: 00223549     EISSN: 15206017     Source Type: Journal    
DOI: 10.1002/jps.22619     Document Type: Article

References (26)

1. Obach RS. 1999. Prediction of human clearance of twenty-nine drugs from hepatic microsomal intrinsic clearance data: An examination of in vitro half-life approach and nonspecific binding to microsomes. Drug Metab Dispos 27:1350-1359.
2. Foster JA, Houston BJ, Halifax D. 2011. Comparison of intrinsic clearances in human liver microsomes and suspended hepatocytes from the same donor livers: Clearance-dependent relationship and implications for prediction of in vivo clearance. Xenobiotica 41:124-136.
3. Ito K, Houston B. 2005. Prediction of human drug clearance from in vitro and preclinical data using physiologically based and empirical approaches. Pharm Res 22:103-112.
4. Turner DB, Rostami-Hodjegan A, Tucker GT, Yeo KR. 2007. Prediction of nonspecific hepatic microsomal binding from readily available physicochemical properties. Drug Metab Rev 38(S1):162.
5. Halifax D, Houston BJ. 2006. Binding of drugs to hepatic microsomes: Comments and assessment of current prediction methodology with recommendation for improvement. Drug Metab Rev 34:724-726.
6. Austin RP, Barton P, Mohmed S, Riley RJ. 2005. The binding of drugs to hepatocytes and its relationship to physicochemical properties. Drug Metab Dispos 33:419-425.
7. Riley RJ, McGinnity DF, Austin RP. 2005. A unified model for predicting human hepatic, metabolic clearance from in vitro intrinsic clearance data in hepatocytes and microsomes. Drug Metab Dispos 33:1304-1311.
8. Austin RP, Barton P, Cockroft SL, Wenlock MC, Riley RJ. 2002. The influence of nonspecific microsomal binding on apparent intrinsic clearance, and its prediction from physicochemical properties. Drug Metab Dispos 30:1497-1503.
9. Gertz M, Kilford PJ, Houston B, Galetin A. 2008. Drug lipophilicity and microsomal protein concentration as determinants in the prediction of the fraction unbound in microsomals incubations. Drug Metab Dispos 36:535-542.
10. Naritomi Y, Terashita S, Kimura A, Kagayama A, Sugiyama Y. 2001. Prediction of human clearance from in vivo animal experiments and in vitro metabolic studies with liver microsomes from animals and humans. Drug Metab Dispos 29:1316-1324.
11. McClure JA, Miners JO, Birkett DJ. 2000. Nonspecific binding of drugs to human liver microsomes. Br J Clin Pharmacol 49:453-461.
12. Haddad S, Poulin P, Funk C. 2010. Extrapolating in vitro metabolic interactions to isolated perfused liver: Prediction of metabolic interactions between bufarolol, bunitrolol, and debrisoquine. J Pharm Sci 99:4406-4426.
13. Peyret T, Poulin P, Krishnan K. 2010. A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals. Toxicol Appl Pharmacol 249:197-207.
14. Rodgers T, Rowland M. 2007. Mechanistic approaches to volume of distribution predictions: Understanding the processes. Pharm Res 24:918-933.
15. Poulin P, Theil FP. 2009. Development of a novel method for predicting human volume of distribution at steady-state of basic drugs and comparative assessment with existing methods. J Pharm Sci 98:4941-4961.
16. Poulin P, Ekin S, Theil FP. 2011. A hybrid approach to advancing quantitative prediction of tissue distribution of basic drugs in human. Toxicol Appl Pharmacol 250:194-212.
17. Obach S. 1997. Nonspecific binding to microsomes. Impact on scale-up of in vitro intrinsic clearance to hepatic clearance as assessed through examination of warfarin, imipramine, and proporanolol. Drug Metab Dispos 25:1359-1365.
18. Chan GLY, Axelson JE, Price JDE, McErlane KM, Kerr CR. 1989. In vitro protein binding of propafenone in normal and uraemic human sera. Eur J Clin Pharmacol 36:495-499.
19. Benga G, Pop VI, Ionescu M, Hodarnau A, Tilinca R, Frangopol PT. 1983. Comparison of human and rat liver microsomes by spin label and biochemical analyses. Biochim Biophys Acta 750:194-199.
20. Chidozie VN, Anekwe GE, Chukwu OOC, Olabode OA, Igweh AC, Adeyanju ON. 2009. Lipid composition of microsomal fraction of female rat liver at different stages of growth. Afr J Biochem Res 3:205-209.
21. Leo A, Hansch C, Elkins D. 1971. Partition coefficients and their uses. Chem Rev 71:525-615.
22. Gao H, Steyn S, Chang G, Lin J. 2010. Assessment of in silico models for fraction unbound drug in human liver microsomes. Expert Opin Drug Metab Toxicol 6:533-542.
23. Lullmann H, Wehling M. 1979. The binding of drugs to different polar lipids in vitro. Biochem Pharmacol 28:3409-3415.
24. Yata N, Toyoda T, Murakami T, Nishura A, Higashi Y. 1990. Phosphatidylserine as a determinant for the tissue distribution of weakly basic drugs. Pharm Res 7:1019-1025.
25. Zhang Y, Yao L, Gao H, Wilson TC, Giragossian C. 2010. Lack of appreciable species difference in nonspecific microsomal binding. J Pharm Sci 99:3620-3627.
26. Hinderling PH. 1997. Red blood cells: A neglected compartment in pharmacology and pharmacodynamics. Pharmacol Rev 49:279-295.