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Xenobiotica
the fate of foreign compounds in biological systems
Volume 51, 2021 - Issue 10
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General Xenobiochemistry

Comparison between lab variability and in silico prediction errors for the unbound fraction of drugs in human plasma

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Pages 1095-1100 | Received 08 Jul 2021, Accepted 31 Jul 2021, Published online: 13 Aug 2021

References

  • Abe K, Bridges A, Yue W, Brouwer KL. 2008. In vitro biliary clearance of angiotensin II receptor blockers and 3-hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors in sandwich-cultured rat hepatocytes: comparison with in vivo biliary clearance. J Pharmacol Exp Ther. 326(3):983–990.
  • Brown HS, Griffin M, Houston JB. 2007. Evaluation of cryopreserved human hepatocytes as an alternative in vitro system to microsomes for the prediction of metabolic clearance. Drug Metab Dispos. 35(2):293–301.
  • Cohen LH. 2004. Plasma protein-binding methods in drug discovery. In: Yan Z, Caldwell GW, editors. Optimizing drug discovery – in vitro methods. Totowa (NJ): Humana Press Inc.; p. 111–122.
  • De Buck SS, Sinha VK, Fenu LA, Nijsen MJ, Mackie CE, Gilissen RAHJ. 2007. Prediction of human pharmacokinetics using physiologically based modeling: a retrospective analysis of 26 clinically tested drugs. Drug Metab Dispos. 35(10):1766–1780.
  • Fuse E, Tanii H, Kurata N, Kobayashi H, Shimada Y, Tamura T, Sasaki Y, Tanigawara Y, Lush RD, Headlee D, et al. 1998. Unpredicted clinical pharmacology of UCN-01 caused by specificbinding to human alfa-1-acid glycoprotein. Cancer Res. 58:3248–3253.
  • Goodman Gilman A, In Hardman JG, Limbird LE. 2001. Goodman Gilman. Editors Goodman and Gilman’s: the pharmacological basis of therapeutics. Int. ed. New York, NY: McGraw-Hill.
  • Hallifax D, Foster JA, Houston JB. 2010. Prediction of human metabolic clearance from in vitro systems: retrospective analysis and prospective view. Pharm Res. 27(10):2150–2161.
  • Hervé F, Urien S, Albengre E, Duché JC, Tillement J-P. 1994. Drug binding in plasma. A summary of recent trends in the study of drug and hormone binding. Clin Pharmacokinet. 26(1):44–58.
  • Iwatsubo T, Hirota N, Ooie T, Suzuki H, Shimada N, Chiba K, Ishizaki T, Green CE, Tyson CA, Sugiyama Y. 1997. Prediction of in vivo drug metabolism in the human liver from in vitro metabolism data. Pharmacol Ther. 73(2):147–171.
  • Jones H, Barton H, Lai Y, Bi Y, Kimoto E, Kempshall S, Tate S, El-Kattan A, Houston JB, Galetin A, et al. 2012. Mechanistic pharmacokinetic modeling for the prediction of transporter-mediated disposition in humans from sandwich culture human hepatocyte data. Drug Metab Dispos. 40(5):1007–1017.
  • Kariv I, Cao H, Oldenburg KR. 2001. Development of a high throughput equilibrium dialysis method. J Pharm Sci. 90(5):580–587.
  • Kratochwil NA, Huber W, Müller F, Kansy M, Gerber PR. 2002. Predicting plasma protein binding of drugs: a new approach. Biochem Pharmacol. 64(9):1355–1374.
  • Kwon Y, 2002. Protein binding. In: Y. Kwon, editor. Handbook of essential pharmacokinetics, pharmacokinetics, and metabolism for industrial scientists. New York, Boston, Dordrecht, London and Moscow: Kluwer Academic Publishers; p. 107–111.
  • McGinnity DF, Collington J, Austin RP, Riley RJ. 2007. Evaluation of human pharmacokinetics, therapeutic dose and exposure predictions using marketed oral drugs. Current Drug Met. 8:463–479.
  • 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 Disp. 27:1350–1359.
  • Obach RS, Lombardo F, Waters NJ. 2008. Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Drug Metab Dispos. 36(7):1385–1405.
  • Poulin P, Jones RDO, Jones HM, Gibson CR, Rowland M, Chien JY, Ring BJ, Adkison KK, Ku MS, He H, et al. 2011. PHRMA CPCDC Initiative on predictive models of human pharmacokinetics, Part 5: prediction of plasma concentration-time profiles in human by using the physiologically-based pharmacokinetic modeling approach . J Pharm Sci. 100(10):4127–4157.
  • 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(9):1304–1311.
  • Schlicht KE, Miller VP. 2013. Ultrafast plasma protein binding analysis using the agilent rapid fire high-throughput mass spectrometry system and accurate mass Q-TOF. Wakefield (MA): Agilent Technologies, Inc.
  • Shibata Y, Takahashi H, Chiba M, Ishii Y. 2002. Prediction of hepatic clearance and availability by cryopreserved human hepatocytes: an application of serum incubation method. Drug Metab Dispos. 30(8):892–896.
  • SIMCA version 16. 2019. Sartorius Stedim Umetrics, Umeå.
  • Sohlenius-Sternbeck A-K, Afzelius L, Prusis P, Neelissen J, Hoogstraate J, Johansson J, Floby E, Bengtsson A, Gissberg O, Sternbeck J, et al. 2010. Evaluation of the human prediction of clearance from hepatocyte and microsome intrinsic clearance for 52 drug compounds. Xenobiotica. 40(9):637–649.
  • Uchimura T, Katob M, Saitoc T, Kinoshitac H. 2010. Prediction of human blood-to-plasma drug concentration ratio. Biopharm Drug Dispos. 31:286–297.
  • Watanabe R, Esaki T, Kawashima H, Natsume-Kitatani Y, Nagao C, Ohashi R, Mizuguchi K. 2018. Predicting fraction unbound in human plasma from chemical structure: improved accuracy in the low value ranges. Mol Pharm. 15(11):5302–5311.
  • Yamagata T, Zanelli U, Gallemann D, Perrin D, Dolgos H, Petersson C. 2017. Comparison of methods for the prediction of human clearance from hepatocyte intrinsic clearance for a set of reference compounds and an external evaluation set. Xenobiotica. 47(9):741–751.
  • Zeitlinger MA, Derendorf H, Mouton JW, Cars O, Craig WA, Andes D, Theuretzbacher U. 2011. Protein binding: do we ever learn? Antimicrob Agents Chemother. 55(7):3067–3074.
  • Zhivkova Z, Doytchinova I. 2012. Quantitative structure-plasma protein binding relationships of acidic drugs. J Pharm Sci. 101(12):4627–4641.

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