Prediction of concentration-time profile and its inter-individual variability following the dermal drug absorption

Journal of Pharmaceutical Sciences

Volumn 101, Issue 7, 2012, Pages 2584-2595

  Polak, Sebastian ^a,b   Ghobadi, Cyrus ^a,d   Mishra, Himanshu ^a   Ahamadi, Malidi ^a   Patel, Nikunjkumar ^a   Jamei, Masoud ^a   Rostami Hodjegan, Amin ^a,c  

^a CERTARA UK LIMITED   (United Kingdom)

^b JAGIELLONIAN UNIVERSITY MEDICAL COLLEGE   (Poland)

^c UNIVERSITY OF MANCHESTER   (United Kingdom)

^d LEEDS TEACHING HOSPITALS NHS TRUST   (United Kingdom)

Author keywords

ADME (absorption; Distribution; Excretion); in vitro in vivo extrapolation (IVIVE); Inter individual variability; Mathematical model; Metabolism; Physiological model; Physiologically based pharmacokinetic (PBPK) models; Simcyp simulator; Transdermal drug delivery

Indexed keywords

DICLOFENAC; NONSTEROID ANTIINFLAMMATORY AGENT;

ARTICLE; CELL COMPARTMENTALIZATION; CLINICAL TRIAL (TOPIC); COMPUTER MODEL; CONCENTRATION RESPONSE; DATA BASE; DERMIS; DRUG ABSORPTION; DRUG DELIVERY SYSTEM; DRUG DISPOSITION; DRUG FORMULATION; DRUG PENETRATION; EPIDERMIS; FEMALE; HUMAN; MALE; PREDICTION; SKIN ABSORPTION; SKIN PERMEABILITY; STRATUM CORNEUM; BIOLOGICAL MODEL; COMPUTER SIMULATION; INTRADERMAL DRUG ADMINISTRATION; METABOLISM; SKIN;

ADMINISTRATION, CUTANEOUS; ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL; COMPUTER SIMULATION; DICLOFENAC; FEMALE; HUMANS; MALE; MODELS, BIOLOGICAL; SKIN; SKIN ABSORPTION;

EID: 84866306393     PISSN: 00223549     EISSN: 15206017     Source Type: Journal    
DOI: 10.1002/jps.23155     Document Type: Article

References (60)

1. Rostami-Hodjegan A, Tucker GT. 2007. Simulation and prediction of in vivo drug metabolism in human populations from in vitro data. Nat Rev Drug Discov 6(2):140-148.
2. Rowland M, Peck C, Tucker G. 2011. Physiologically-based pharmacokinetics in drug development and regulatory science. Annu Rev Pharmacol Toxicol 51:45-73.
3. Jamei M, Turner D, Yang J, Neuhoff S, Polak S, Rostami-Hodjegan A, Tucker G. 2009. Population-based mechanistic prediction of oral drug absorption. AAPS J 11(2):225-237.
4. Bock U, Krause W, Otto J, Haltner E. 2004. Comparative in vitro and in vivo studies on the permeation and penetration of ketoprofen and ibuprofen in human skin. Arzneimittelforschung 54(9):522-529.
5. Wester RC, Noonan PK. 1980. Relevance of animal models for percutaneous absorption. Int J Pharm 7(2):99-110.
6. Bronaugh RL, Stewart RF, Congdon ER. 1982. Methods for in vitro percutaneous absorption studies. II. Animal models for human skin. Toxicol Appl Pharmacol 62(3):481-488.
7. Schmook FP, Meingassner JG, Billich A. 2001. Comparison of human skin or epidermis models with human and animal skin in in-vitro percutaneous absorption. Int J Pharm 215(1-2):51-56.
8. Boogaard PJ, Denneman MA, Van Sittert NJ. 2000. Dermal penetration and metabolism of five glycidyl ethers in human, rat and mouse skin. Xenobiotica 30(5):469-483.
9. Fasano WJ, Ten Berge WF, Banton MI, Heneweer M, Moore NP. 2011. Dermal penetration of propylene glycols: Measured absorption across human abdominal skin in vitro and comparison with a QSAR model. Toxicol In Vitro 25(8):1664-1670.
10. Riviere JE, Brooks JD. 2011. Predicting skin permeability from complex chemical mixtures: Dependency of quantitative structure permeation relationships on biology of skin model used. Toxicol Sci 119(1):224-232.
11. Lee PH, Conradi R, Shanmugasundaram V. 2010. Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay. Bioorg Med Chem Lett 20(1):69-73.
12. Adler S, Basketter D, Creton S, Pelkonen O, van Benthem J, Zuang V, Andersen KE, Angers-Loustau A, Aptula A, Bal-Price A, Benfenati E, Bernauer U, Bessems J, Bois FY, Boobis A, Brandon E, Bremer S, Broschard T, Casati S, Coecke S, Corvi R, Cronin M, Daston G, Dekant W, Felter S, Grignard E, Gundert-Remy U, Heinonen T, Kimber I, Kleinjans J, Komulainen H, Kreiling R, Kreysa J, Leite SB, Loizou G, Maxwell G, Mazzatorta P, Munn S, Pfuhler S, Phrakonkham P, Piersma A, Poth A, Prieto P, Repetto G, Rogiers V, Schoeters G, Schwarz M, Serafimova R, Tahti H, Testai E, van Delft J, van Loveren H, Vinken M, Worth A, Zaldivar JM. 2011. Alternative (non-animal) methods for cosmetics testing: Current status and future prospects-2010. Arch Toxicol 85(5):367-485.
13. Jamei M, Marciniak S, Feng K, Barnett A, Tucker G, Rostami-Hodjegan A. 2009. The Simcyp population-based ADME simulator. Expert Opin Drug Metab Toxicol 5(2):211-223.
14. van De Graaff KM. 2002. Human anatomy, 6th ed., Boston: McGraw-Hill; pp. 840.
15. Prausnitz MR, Langer R. 2008. Transdermal drug delivery. Nat Biotechnol 26(11):1261-1268.
16. Pouillot A, Dayan N, Polla AS, Polla LL, Polla BS. 2008. The stratum corneum: A double paradox. J Cosmet Dermatol 7(2):143-148.
17. Howes D, Guy RH, Hadgraft J, Heylings J, Hoeck U, Kemper F, Maibach H, Marty JP, Merk H, Parra J, Rekkas D, Rondelli I, Schaefer H, Tauber U, Verbiese N. 1996. Methods for assessing percutaneous absorption. The report and recommendations of ECVAM Workshop 13. Altern Lab Anim 24:81-106.
18. Gumel AB, Kubota K, Twizell EH. 1998. A sequential algorithm for the non-linear dual-sorption model of percutaneous drug absorption. Math Biosci 152(1):87-103.
19. Roberts MS, Anissimov YG, Gonsalvez RA. 2001. Mathematical models in percutaneous absorption. Cutan Ocul Toxicol 20(2-3):221-270.
20. Yamashita F, Hashida M. 2003. Mechanistic and empirical modeling of skin permeation of drugs. Adv Drug Deliv Rev 55(9):1185-1199.
21. McCarley KD, Bunge AL. 1998. Physiologically relevant one-compartment pharmacokinetic models for skin. 1. Development of models. J Pharm Sci 87(4):470-481.
22. Shatkin JA, Brown HS. 1991. Pharmacokinetics of the dermal route of exposure to volatile organic chemicals in water: A computer simulation model. Environ Res 56(1):90-108.
23. Chinery RL, Gleason AK. 1993. A compartmental model for the prediction of breath concentration and absorbed dose of chloroform after exposure while showering. Risk Anal 13(1):51-62.
24. McCarley KD, Bunge AL. 2001. Pharmacokinetic models of dermal absorption. J Pharm Sci 90(11):1699-1719.
25. Elias PM. 1983. Epidermal lipids, barrier function, and desquamation. J Invest Dermatol 80l:44s-49s.
26. Elias PM, Cooper ER, Korc A, Brown BE. 1981. Percutaneous transport in relation to stratum corneum structure and lipid composition. J Invest Dermatol 76(4):297-301.
27. Guy RH, Hadgraft J, Maibach HI. 1985. Percutaneous absorption in man: A kinetic approach. Toxicol Appl Pharmacol 78(1):123-129.
28. Guy RH, Maibach HI. 1982. Rapid radial transport of methyl nicotinate in the dermis. Arch Dermatol Res 273(1-2):91-95.
29. Lien EJ, Gao H. 1995. QSAR analysis of skin permeability of various drugs in man as compared to in vivo and in vitro studies in rodents. Pharm Res 12(4):583-587.
30. Wilschut A, ten Berge WF, Robinson PJ, McKone TE. 1995. Estimating skin permeation. The validation of five mathematical skin permeation models. Chemosphere 30(7):1275-1296.
31. Yamaguchi K, Mitsui T, Aso Y, Sugibayashi K. 2007. Analysis of in vitro skin permeation of 22-oxacalcitriol from ointments based on a two- or three-layer diffusion model considering diffusivity in a vehicle. Int J Pharm 336(2):310-318.
32. Potts RO, Guy RH. 1992. Predicting skin permeability. Pharm Res 9(5):663-669.
33. Vecchia BE, Bunge AL. 2003. Skin absorption databases and predictive equations. In Transdermal Drug Delivery; Guy RH, Hadgraft J, Eds. 2nd ed. New York, New York: Informa Healthcare.
34. Cleek RL, Bunge AL. 1993. A new method for estimating dermal absorption from chemical exposure. 1. General approach. Pharm Res 10(4):497-506.
35. Franz TJ, Lehman PA, Franz SF, North-Root H, Demetrulias JL, Kelling CK, Moloney SJ, Gettings SD. 1993. Percutaneous penetration of N-nitrosodiethanolamine through human skin (in vitro): Comparison of finite and infinite dose applications from cosmetic vehicles. Fundam Appl Toxicol 21(2):213-221.
36. EPA. 2004. Proposed National Emission Standards for Hazardous Air Pollutants; and, in the Alternative Proposed Standards of Performance for New and Existing Stationary Sources, Electric Utility Steam Generating Units: Notice of Data Availability. Washington; DC: U.S. Environmental Protection Agency; pp. 69864-69865.
37. Gao H, Wang F, Lien EJ. 1995. Hydrophobic contribution constants of amino acid residues to the hydrophobicities of oligopeptides. Pharm Res 12(9):1279-1283.
38. Luo W, Medrek S, Misra J, Nohynek GJ. 2007. Predicting human skin absorption of chemicals: Development of a novel quantitative structure activity relationship. Toxicol Ind Health 23(1):39-45.
39. EPA. 2004. Risk Assessment Guidance for Superfund Volume I: Human Health Evaluation Manual (Part E, Supplemental Guidance Dermal Risk Assessment). Washington; DC: U.S. Environmental Protection Agency.
40. Hui X, Wester RC, Magee PS, Maibach HI. 1995. Partitioning of chemicals from water into powdered human stratum corneum (Callus): A model study. In Vitro Toxicol 8(2):159-167.
41. Abraham MH, Chadha HS, Mitchell RC. 1995. The factors that influence skin penetration of solutes. J Pharm Pharmacol 47(1):8-16.
42. Guy RH, Hadgraft J. 1985. Pharmacokinetic interpretation of the plasma levels of clonidine following transdermal delivery. J Pharm Sci 74(9):1016-1018.
43. Buist HE, Van Burgsteden JA, Maas WJM, Van De Sandt JJM. 2007. Occupational and Environmental Exposures of Skin to Chemicals. Golden: Colorado.
44. Brunner M, Dehghanyar P, Seigfried B, Martin W, Menke G, Muller M. 2005. Favourable dermal penetration of diclofenac after administration to the skin using a novel spray gel formulation. Br J Clin Pharmacol 60(5):573-577.
45. Devi K, Paranjothy KL. 1999. Pharmacokinetic profile of a new matrix-type transdermal delivery system: Diclofenac diethyl ammonium patch. Drug Dev Ind Pharm 25(5):695-700.
46. Galzigna L, Mautone G, Lualdl P. 1981. Percutaneous absorption of diclofenac after topical application of two different gel formulations (Flector 1% gel and Voltarene 1% emulged). Clin Trials J 26(5):304-309.
47. Hui X, Hewitt PG, Poblete N, Maibach HI, Shainhouse JZ, Wester RC. 1998. in vivo bioavailability and metabolism of topical diclofenac lotion in human volunteers. Pharm Res 15(10):1589-1595.
48. Radermacher J, Jentsch D, Scholl MA, Lustinetz T, Frolich JC. 1991. Diclofenac concentrations in synovial fluid and plasma after cutaneous application in inflammatory and degenerative joint disease. Br J Clin Pharmacol 31(5):537-541.
49. Gschwend MH, Martin W, Arnold P, Verdun MO, Cambon N, Frentzel A, Scheiwe W. 2005. Determination of the transdermal bioavailability of a newly developed diclofenac sodium patch in comparison with a reference preparation. Arzneimittelforschung 55(7):403-413.
50. Dehghanyar P, Mayer BX, Namiranian K, Mascher H, Muller M, Brunner M. 2004. Topical skin penetration of diclofenac after single- and multiple-dose application. Int J Clin Pharmacol Ther 42(7):353-359.
51. Seth BL. 1992. Comparative pharmacokinetics and bioavailability study of percutaneous absorption of diclofenac from two topical formulations containing drug as a solution gel or as an emulsion gel. Arzneimittelforschung 42(2):120-122.
52. Sioufi A, Pommier F, Boschet F, Godbillon J, Lavoignat D, Salliere D. 1994. Percutaneous absorption of diclofenac in healthy volunteers after single and repeated topical application of diclofenac Emulgel. Biopharm Drug Dispos 15(6):441-449.
53. Gallacchi G, Marcolongo R. 1993. Pharmacokinetics of diclofenac hydroxyethylpyrrolidine (DHEP) plasters in patients with monolateral knee joint effusion. Drugs Exp Clin Res 19(3):95-97.
54. Assandri A, Canali S, Giachetti C. 1993. Local tolerability and pharmacokinetic profile of a new transdermal delivery system, diclofenac hydroxyethylpyrrolidine plaster. Drugs Exp Clin Res 19(3):89-95.
55. Miyatake S, Ichiyama H, Kondo E, Yasuda K. 2009. Randomized clinical comparisons of diclofenac concentration in the soft tissues and blood plasma between topical and oral applications. Br J Clin Pharmacol 67(1):125-129.
56. Kinsner-Ovaskainen A, Akkan Z, Casati S, Coecke S, Corvi R, Dal Negro G, De Bruijn J, De Silva O, Gribaldo L, Griesinger C, Jaworska J, Kreysa J, Maxwell G, McNamee P, Price A, Prieto P, Schubert R, Tosti L, Worth A, Zuang V. 2009. Overcoming barriers to validation of non-animal partial replacement methods/Integrated Testing Strategies: The report of an EPAA-ECVAM workshop. Altern Lab Anim 37(4):437-444.
57. Lee Y, Hwang K. 2002. Skin thickness of Korean adults. Surg Radiol Anat 24(3-4):183-189.
58. Egawa M, Hirao T, Takahashi M. 2007. in vivo estimation of stratum corneum thickness from water concentration profiles obtained with Raman spectroscopy. Acta Derm Venereol 87(1):4-8.
59. Egawa M, Tagami H. 2008. Comparison of the depth profiles of water and water-binding substances in the stratum corneum determined in vivo by Raman spectroscopy between the cheek and volar forearm skin: Effects of age, seasonal changes and artificial forced hydration. Br J Dermatol 158(2):251-;260.
60. Andersen ME, Clewell HJ, Carmichael PL, Boekelheide K. 2011. Can case study approaches speed implementation of the NRC report: "toxicity testing in the 21st century: A vision and a strategy?". ALTEX 28(3):175-182.