Integrated pharmacokinetic-driven approach to screen candidate anticancer drugs for brain tumor chemotherapy

AAPS Journal

Volumn 15, Issue 1, 2013, Pages 250-257

  Lv, Hua ^a   Zhang, Xiaoping ^a   Sharma, Jyoti ^a   Reddy, M V Ramana ^a   Reddy, E Premkumar ^a   Gallo, James M ^a  

^a MOUNT SINAI SCHOOL OF MEDICINE   (United States)

Author keywords

brain tumor; CNS; drug development; pharmacokinetics; preclinical

Indexed keywords

ANTINEOPLASTIC AGENT; LOW MOLECULAR WEIGHT ANTICANCER AGENT; ON 123; ON 1231030; ON 1231060; ON 1231650; ON 123230; ON 123300; ON 123650; ON 123660; ON 123680; ON 123750; ON 123770; ON 123780; ON 123830; ON 123850; ON 123870; ON 123890; PYRIMIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ACCURACY; ANIMAL EXPERIMENT; ANIMAL TISSUE; AREA UNDER THE CURVE; ARTICLE; BRAIN TISSUE; CANCER CHEMOTHERAPY; CELL LINE; CELL MEMBRANE PERMEABILITY; COMPUTER MODEL; DRUG ABSORPTION; DRUG ACCUMULATION; DRUG CYTOTOXICITY; DRUG DETERMINATION; DRUG DISTRIBUTION; DRUG EFFICACY; DRUG ELIMINATION; DRUG METABOLISM; DRUG PENETRATION; DRUG PURITY; DRUG SCREENING; DRUG STABILITY; DRUG STRUCTURE; GLIOMA; HUMAN; HUMAN CELL; IN VITRO STUDY; IN VIVO STUDY; MALE; MDCK CELL; MDR1 CELL; MOLECULAR WEIGHT; MOUSE; NONHUMAN; PREDICTION; PROTEIN BINDING;

ANIMALS; ANTINEOPLASTIC AGENTS; BLOOD-BRAIN BARRIER; BRAIN; BRAIN NEOPLASMS; DRUG DISCOVERY; HUMANS; MALE; MICE; MICE, INBRED ICR; PROTEIN BINDING;

EID: 84871996445     PISSN: 15507416     EISSN: None     Source Type: Journal    
DOI: 10.1208/s12248-012-9428-4     Document Type: Article

References (29)

1. Levin VA. Are gliomas preventable? Recent Results Cancer Res. 2007;174:205-15.
2. Ningaraj NS. Drug delivery to brain tumours: challenges and progress. Expert Opin Drug Deliv. 2006;3(4):499-509.
3. Motl S, Zhuang Y, Waters CM, Stewart CF. Pharmacokinetic considerations in the treatment of CNS tumours. Clin Pharmacokinet. 2006;45(9):871-903. (Pubitemid 44313694)
4. Narayanan R, Gunturi SB. In silico ADME modelling: prediction models for blood-brain barrier permeation using a systematic variable selection method. Bioorg Med Chem. 2005;13(8):3017-28. (Pubitemid 40392479)
5. Gerebtzoff G, Seelig A. In silico prediction of blood-brain barrier permeation using the calculated molecular cross-sectional area as main parameter. J Chem Inf Model. 2006;46(6):2638-50. (Pubitemid 46008134)
6. Bendels S, Kansy M, Wagner B, Huwyler J. In silico prediction of brain and CSF permeation of small molecules using PLS regression models. Eur J Med Chem. 2008;43(8):1581-92. Epub 2007 Nov 26.
7. Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, et al. Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm. 2005;288(2):349-59. Epub 2004 Dec 15. (Pubitemid 40038588)
8. Taub ME, Podila L, Ely D, Almeida I. Functional assessment of multiple P-glycoprotein (P-gp) probe substrates: influence of cell line and modulator concentration on P-gp activity. Drug Metab Dispos. 2005;33(11):1679-87. (Pubitemid 41539967)
9. Vichai V, Kirtikara K. Sulforhodamine B colorimetric assay for cytotoxicity screening. Nat Protoc. 2006;1(3):1112-6.
10. Yang Z, Zadjura LM, Marino AM, D'Arienzo CJ, Malinowski J, Gesenberg C, et al. Utilization of in vitro Caco-2 permeability and liver microsomal half-life screens in discovering BMS-488043, a novel HIV-1 attachment inhibitor with improved pharmacokinetic properties. J Pharm Sci. 2010;99(4):2135-52.
11. Stringer R, Nicklin PL, Houston JB. Reliability of human cryopreserved hepatocytes and liver microsomes as in vitro systems to predict metabolic clearance. Xenobiotica. 2008;38(10):1313-29.
12. Boudinot FD, Jusko WJ. Fluid shifts and other factors affecting plasma protein binding of prednisolone by equilibrium dialysis. J Pharm Sci. 1984;73(6):774-80. (Pubitemid 14122792)
13. Dow N (2006) Determination of compound binding to plasma proteins. Curr Protoc Pharmacol. Chapter 7:Unit7.5.
14. Maurer TS, Debartolo DB, Tess DA, Scott DO. Relationship between exposure and nonspecific binding of thirty-three central nervous system drugs in mice. Drug Metab Dispos. 2005;33(1):175-81. Epub 2004 Oct 22. (Pubitemid 40023529)
15. Obach RS, Baxter JG, Liston TE, Silber BM, Jones BC, MacIntyre F, et al. The prediction of human pharmacokinetic parameters from preclinical and in vitro metabolism data. J Pharmacol Exp Ther. 1997;283(1):46-58. (Pubitemid 27438945)
16. Iwatsubo T, Hirota N, Ooie T, Suzuki H, Shimada N, Chiba K, et al. Prediction of in vivo drug metabolism in the human liver from in vitro metabolism data. Pharmacol Ther. 1997;73(2):147-71. (Pubitemid 27191615)
17. Waterhouse RN. Determination of lipophilicity and its use as a predictor of blood-brain barrier penetration of molecular imaging agents. Mol Imaging Biol. 2003;5(6):376-89. (Pubitemid 37489828)
18. van de Waterbeemd H, Gifford E. ADMET in silico modelling: towards prediction paradise? Nat Rev Drug Discov. 2003;2:192-204. Review. (Pubitemid 37361664)
19. Narla RK, Liu XP, Myers DE, Uckun FM. 4-(3′-Bromo- 4′hydroxylphenyl)-amino-6,7-dimethoxyquinazoline: a novel quinazoline derivative with potent cytotoxic activity against human glioblastoma cells. Clin Cancer Res. 1998;4(6):1405-14. (Pubitemid 28265222)
20. Barazzuol L, Jena R, Burnet NG, Jeynes JC, Merchant MJ, Kirkby KJ, et al. In vitro evaluation of combined temozolomide and radiotherapy using x rays and high-linear energy transfer radiation for glioblastoma. Radiat Res. 2012;177(5):651-62.
21. Luqiu Z, Yiquan K, Gengqiang L, Yijing L, Xiaodan J, Yingqian C. A new design immunotoxin for killing high-grade glioma U87 cells: From in vitro to in vivo. J Immunotoxicol. 2012; 1-6.
22. Di L, Kerns EH, Carter GT. Strategies to assess blood-brain barrier penetration. Expert Opin Drug Discov. 2008;2(6):677-87. Volume 3, Number 6. (Pubitemid 351890679)
23. Reichel A. Addressing central nervous system (CNS) penetration in drug discovery: basics and implications of the evolving new concept. Chem Biodivers. 2009;6(11):2030-49.
24. Hammarlund-Udenaes M, Fridén M, Syvänen S, Gupta A. On the rate and extent of drug delivery to the brain. Pharm Res. 2008;25(8):1737-50.
25. Read KD, Braggio S. Assessing brain free fraction in early drug discovery. Expert Opin Drug Metab Toxicol. 2010;6(3):337-44.
26. Zhang MY, Kerns E, McConnell O, Sonnenberg-Reines J, Zaleska MM, Steven Jacobsen J, et al. Brain and plasma exposure profiling in early drug discovery using cassette administration and fast liquid chromatography-tandem mass spectrometry. J Pharm Biomed Anal. 2004;34(2):359-68. (Pubitemid 38167766)
27. He K, Qian M, Wong H, Bai SA, He B, Brogdon B, et al. N-in-1 dosing pharmacokinetics in drug discovery: experience, theoretical and practical considerations. J Pharm Sci. 2008;97:2568-80.
28. Zhao YH, Le J, Abraham MH, Hersey A, Eddershaw PJ, Luscombe CN. Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. J Pharm Sci. 2001;90(6):749-84. (Pubitemid 32530451)
29. Obach RS. Nonspecific binding to microsomes: impact on scale-up of in vitro intrinsic clearance to hepatic clearance as assessed through examination of warfarin, imipramine, and propranolol. Drug Metab Dispos. 1997;25(12):1359-69. (Pubitemid 28010921)