Prediction of milk/plasma concentration ratios of drugs and environmental pollutants

European Journal of Medicinal Chemistry

Volumn 44, Issue 6, 2009, Pages 2452-2458

  Abraham, Michael H ^a   Gil Lostes, Javier ^a   Fatemi, Mohammad ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Artificial neural networks; Drugs; Linear free energy relationship; Milk; Milk plasma ratios; Pollutants

Indexed keywords

ACETAZOLAMIDE; ACICLOVIR; ALPRAZOLAM; AMFEBUTAMONE; AMITRIPTYLINE; AMOXICILLIN; AMPICILLIN; ASTEMIZOLE; ATENOLOL; AZTREONAM; BACLOFEN; BUPIVACAINE; CAFFEINE; CAPTOPRIL; CARBAMAZEPINE; CARBENICILLIN; CEFALEXIN; CEFALOTIN; CEFOXITIN; CEFTRIAXONE; CHLOROQUINE; CIMETIDINE; CITALOPRAM; COTININE; DAPSONE; DIAZEPAM; DIELDRIN; FENTANYL; HALOPERIDOL; UNINDEXED DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BLOOD; DRUG CONTAMINATION; MATHEMATICAL ANALYSIS; MILK; POLLUTANT;

DATABASES, FACTUAL; ENVIRONMENTAL POLLUTANTS; HYDROPHOBICITY; LINEAR MODELS; NEURAL NETWORKS (COMPUTER); PHARMACEUTICAL PREPARATIONS; PREDICTIVE VALUE OF TESTS;

EID: 64249110582     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.01.009     Document Type: Article

References (101)

1. McNamara P.J., and Ito S. Adv. Drug Del. Rev. 55 (2003) 615-616
2. Ito S., and Lee A. Adv. Drug Del. Rev. 55 (2003) 617-627
3. McManaman J.L., and Neville M.C. Adv. Drug Del. Rev. 55 (2003) 629-641
4. Fleishaker J.C. Adv. Drug Del. Rev. 55 (2003) 643-652
5. Malisch R., and Van Leeuwen R. Organohalogen Compd. 64 (2003) 140-143
6. Chao H.R., Wang S.-L., Su P.-H., Yu H.-Y., Yu S.-T., and Papke O. J. Hazard. Mater. A121 (2005) 1-10
7. Costopoulou D., Vassiliadou I., Papadopoulos A., Makropoulos V., and Leondiadis L. Chemosphere 65 (2006) 1462-1469
8. Ito S., and Koran G. Br. J. Clin. Pharmacol. 38 (1994) 99-102
9. Fleishaker J.C., Desai N., and McNamara P.J. J. Pharm. Sci. 76 (1987) 189-193
10. Atkinson H.C., and Begg E.J. Br. J. Clin. Pharmacol. 25 (1988) 495-503
11. Meskin M.S., and Lien E.J. J. Clin. Hosp. Pharm. 10 (1985) 269-278
12. Atkinson H.C., and Begg E.J. Clin. Pharmacokinet. 18 (1990) 151-167
13. Begg E.J., Atkinson H.C., and Duffield S.B. Br. J. Clin. Pharmacol. 23 (1992) 501-505
14. Larsen L.A., Ito S., and Koren G. Ann. Pharmacother. 37 (2003) 1299-1306
15. Doogue M.P., Gardiner S.j., and Begg E.J. Ann. Pharmacother. 37 (2003) 174-175
16. Ilett K.F. Ann. Pharmacother. 37 (2003) 175
17. Agatonovic-Kustrin S., Tucker I.G., Zecevic M., and Zivanovic L.J. Anal. Chim. Acta 418 (2000) 181-195
18. Agatonovic-Kustrin S., Ling L.H., Tham S.Y., and Alany R.G. J. Pharm. Biomed. Anal. 29 (2002) 103-119
19. Katritzky A.R., Dobchev D.A., Hur E., Fara D.C., and Karelson M. Bioorg. Med. Chem. 13 (2005) 1623-1632
20. Zhao C., Zhang H., Zhang X., Zhang R., Luan F., Liu M., Hu Z., and Fan B. Pharm. Res. 23 (2006) 41-48
21. Zupan J., and Gasteiger J. Neural Networks in Chemistry and Drug Design. second ed. (1999), Wiley VCH, Weinheim. 3527297790
22. Bose N.K., and Liang P. Neural Network, Fundamentals (1996), McGraw-Hill, New York
23. Abraham M.H., Ibrahim A., and Acree Jr. W.E. Chem. Res. Toxicol. 19 (2006) 801-808
24. Abraham M.H., and Ibrahim A. Eur. J. Med. Chem. 41 (2006) 1430-1438
25. Abraham M.H., Ibrahim A., Zhao Y., and Acree Jr. W.E. J. Pharm. Sci. 95 (2006) 2091-2100
26. Abraham M.H., Ibrahim A., and Acree Jr. W.E. Eur. J. Med. Chem. 42 (2007) 743-751
27. Abraham M.H., Ibrahim A., and Acree Jr. W.E. Eur. J. Med. Chem. 43 (2008) 478-485
28. Abraham M.H. Chem. Soc. Rev. 22 (1993) 73-83
29. Abraham M.H., Ibrahim A., and Zissimos A.M. J. Chromatogr. A 1037 (2004) 29-47
30. PharmaAlgorithms, ADME Boxes, Version 3.0 (2006), PharmaAlgorithms Inc., 591 Indian Road, Toronto, ON M6P 2C4, Canada
31. Atkinson H.C., Begg E.J., and Darlow B.A. Clin. Pharmacokinet. 14 (1988) 217-240
32. Steiner E., Villén T., Hallberg M., and Rane A. Eur. J. Clin. Pharmacol. 27 (1984) 123-124
33. Ilett K.F. Aust. Prescr. 20 (1997) 35-40
34. Ortega D., Viviand X., Lorec A.M., Gamerre M., Martin C., and Bruguerolle B. Acta Anaesth. Scand. 43 (1999) 394-397
35. Briggs G.G., Samson J.H., Ambrose P.J., and Schroeder D.H. Ann Pharmacother. 27 (1993) 431-433
36. Shimoyama R., Ohkubo T., and Sugawara K. Ann. Clin. Biochem. 37 (2000) 210-215
37. Begg E.J., Atkinson H.C., and Duffull S.B. Br. J. Clin. Pharm. 33 (1992) 501-505
38. Matheson I., Evang A., Overø K.F., and Syversen G. Eur. J. Clin. Pharmacol. 27 (1984) 611-613
39. Somogyi A., and Gugler R. Br. J. Clin. Pharmacol. 7 (1979) 627-629
40. Rampono J., Kristensen J.H., Hackett L.P., Paech M., Kohan R., and Ilett K.F. Br. J. Clin. Pharmacol. 50 (2000) 263-268
41. Söderman P., and Matheson I. Eur. J. Pediatr. 147 (1988) 212-213
42. Barnas C., Bergant A., Hummer M., Saria A., and Fleischhacker W.W. Am. J. Psychiatry 151 (1994) 945-946
43. Findlay J.W.A., DeAngelis R.L., Kearney M.F., Welch R.M., and Findlay J.M. Clin. Pharmacol.Ther. 29 (1981) 625-633
44. Luck W., and Nau H. Br. J. Clin. Pharmacol. 18 (1984) 9-15
45. Edstein M.D., Veenendaal J.R., Newman K., and Hyslop R. Br. J. Clin. Pharmacol. 22 (1986) 733-735
46. Hilbert J., Radwanski E., Affrime M.B., Perentesis G., Symchowicz S., and Zampaglione N. J. Clin. Pharmacol. 28 (1988) 234-239
47. Kemp J., Ilett K.F., Booth J., and Hackett L.P. Br. J. Clin. Pharmacol. 20 (1985) 497-499
48. In: Pope A.M., and Rall D.P. (Eds). Environmental Medicine: Integrating a Missing Element into Medical Education. Appendix C, Case Study 53, Reproductive and Developmental Hazards (1995), National Academy Press, Washington, DC 872-892
49. Barnett D.B., Hudson S.A., and McBurney A. Br. J. Clin. Pharmacol. 14 (1982) 310-312
50. Ilett K.F., Lebedevs T.H., Wojnar-Horton R.E., Yapp P., Roberts M.J., Dusci L.J., and Hackett L.P. Br. J. Clin. Pharmacol. 33 (1992) 635-639
51. Kesäniemi Y.A. J. Obstet. Gynaecol. Br. Commonw. 81 (1974) 84-86
52. Rane A., and Tunell R. Br. J. Clin. Pharmacol. 12 (1981) 855-858
53. Force R.W. Pediatr. Infect. Dis. J. 14 (1995) 235-236
54. Kristensen J.H., Ilett K.F., Hackett L.P., Yapp P., Paech M., and Begg E.J. Br. J. Clin. Pharmacol. 48 (1999) 521-527
55. Hägg S., Granberg K., and Carleborg L. Br. J. Clin. Pharmacol. 49 (2000) 286-288
56. Curley A., and Kimbrough R. Arch. Environ. Health 18 (1969) 156-164
57. Mes J., Doyle J.A., Adams B.R., Davies D.J., and Turton D. Arch. Environ. Contam. Toxicol. 13 (1984) 217-223
58. Edwards J.E., Rudy A.C., Wermeling D.P., Desai N., and McNamara P.J. Pharmacotherapy 23 (2003) 153-158
59. Thulin P.C., Woodward W.R., Carter J.H., and Nutt J.G. Neurology 50 (1998) 1920-1921
60. Sommerfield R.J., and Nielsen M.S. Br. J. Anaesth. 57 (1985) 1042-1043
61. Edstein M.D., Veenendaal J.R., and Hyslop R. Excretion of mefloquine in human breast milk. Chemotherapy 34 (1988) 165-169
62. Krause W., Stoppelli I., Milia S., and Rainer E. Eur. J. Clin. Pharmacol. 22 (1982) 53-55
63. White W.B., Andreoli J.W., and Cohn R.D. Clin. Pharmacol. Ther. 37 (1985) 387-390
64. Spigset O., Brede W.R., and Zahlsen K. Am. J. Psychiatry 164 (2007) 348
65. Kulas J., Lunell N.O., Rosing U., Stéen B., and Rane A. Acta Obstet. Gynecol. Scand. Suppl. 118 (1984) 65-69
66. Matheson I., Lunde P.K., and Bredesen J.E. Br. J. Clin. Pharmacol. 30 (1990) 787-793
67. Kristensen J.H., Ilett K.F., Rampono J., Kohan R., and Hackett L.P. Br. J. Clin. Pharmacol. 63 (2007) 322-327
68. Buist A., Dennerstein L., Maguire K.P., and Norman T.R. Hum. Psychopharmacol.: Clin. Exp. 13 (1998) 579-582
69. Devlin R.G., Duchin K.L., and Fleiss P.M. Br. J. Clin. Pharmacol. 12 (1981) 393-396
70. Kristensen J.H., Ilett K.F., Dusci L.J., Hackett L.P., Yapp P., Wojnar-Horton R.E., Roberts M.J., and Paech M. Br. J. Clin. Pharmacol. 45 (1998) 453-457
71. Liu D.T., Savage J.M., and Donnell D. Br. J. Clin. Pharmacol. 23 (1987) 99-101
72. Pons G., Rey E., Richard M.O., Vauzelle F., Francoual C., Moran C., d'Athis P., Badoual J., and Olive G. Dev. Pharmacol. Ther. 14 (1990) 148-152
73. Olsson B., Bolme P., Dahlström B., and Marcus C. Eur. J. Clin. Pharmacol. 30 (1986) 213-215
74. Gardiner S.J., Kristensen J.H., Begg E.J., Hackett L.P., Wilson D.A., Ilett K.F., Kohan R., and Rampono J. Am. J. Psychiatry 160 (2003) 1428-1431
75. Dusci L.J., Good S.M., Hall R.W., and Ilett K.F. Br. J. Clin. Pharmacol. 29 (1990) 123-126
76. Mes J., and Lau P.-Y. Bull. Environ. Contam. Toxicol. 31 (1983) 639-643
77. Inoue K., Harada K., Takenaka K., Uehara S., Kono M., Shimizu T., Takasuga T., Senthilkumar K., Yamashita F., and Koizumi A. Environ. Health Perspect. 114 (2006) 1179-1185
78. Giamerellou H., Kolokythas E., Petrikkos G., Gazis J., Aravantinos D., and Sfikakis P. Am. J. Med. 87 Suppl. 5A (1989) 49S-51S
79. Olesen O.V., Bartels U., and Poulsen J.H. Am. J. Psychiatry 147 (1990) 1378-1379
80. Kaneko S., Sato T., and Suzuki K. Br. J. Clin. Pharmacol. 7 (1979) 624-627
81. Østensen M., Matheson I., and Laufen H. Eur. J. Clin. Pharmacol. 35 (1988) 567-569
82. Begg E.J., Robson R.A., Gardiner S.J., Hudson L.J., Reece P.A., Olson S.C., Posvar E.L., and Sedman A.J. Br. J. Clin. Pharmacol. 51 (2001) 478-481
83. Ilett K.F., Hackett L.P., Kristensen J.H., Vaddadi K.S., Gardiner S.J., and Begg E.J. Ann. Pharmacother. 38 (2004) 273-276
84. Hill R.C., McIvor R.J., Wojnar-Horton R.E., Hackett L.P., and Ilett K.F. J. Clin. Psychopharmacol. 20 (2000) 285-286
85. Gardiner S.J., Begg E.J., Zhang M., and Hughes R.C. Eur. J. Clin. Pharmacol. 61 (2005) 405-408
86. Stoehr G.P., Juhl R.P., Veals J., Symchowicz S., Gural R., Lin C., and McDonald R.H. J. Clin. Pharmacol. 25 (1985) 89-94
87. Dodd S., Stocky A., Buist A., Burrows G.D., Maguire K., and Norman T.R. Hum. Psychopharmacol.: Clin. Exp. 15 (2000) 161-264
88. Wojnar-Horton R.E., Hackett L.P., Yapp P., Dusci L.J., Paech M., and Ilett K.F. Br. J. Clin. Pharmacol. 41 (1996) 217-221
89. Chaikin P., Chasin M., Kennedy B., and Silverman B.K. J. Clin. Pharmacol. 23 (1983) 385-390
90. Resman B.H., Blumenthal H.P., and Jusko W.J. J. Pediatrics 91 (1977) 477-480
91. Yurchak A.M., and Jusko W.J. Pediatrics 57 (1976) 518-520
92. Hartmann D., Lunell N.-O., Friedrich G., and Rane A. Br. J. Clin. Pharmacol. 26 (1988) 183-186
93. Fidler J., Smith V., and De Swiet M. Br. J. Obstet. Gynaecol. 90 (1983) 961-965
94. Evaldson G.R., Lindgren S., Nord C.E., and Rane A.T. Br. J. Clin. Pharmacol. 19 (1985) 503-507
95. Paech M.J., Ilett K.F., Sy S.K., Page-Sharp M., Kristensen J.H., and Browning R. Pain Med. 8 (2007) 615
96. Findlay J.W., Butz R.F., Sailstad J.M., Warren J.T., and Welch R.M. Br. J. Clin. Pharmacol. 18 (1984) 901-906
97. Von Unruh G.E., Froescher W., Hoffmann F., and Niesen M. Ther. Drug Monit. 6 (1984) 272-276
98. Ilett K.F., Kristensen J.H., Hackett L.P., Paech M., Kohan R., and Rampono J. Br. J. Clin. Pharmacol. 53 (2002) 17-22
99. Anderson P., Bondesson U., Mattiasson I., and Johansson B.W. Eur. J. Clin. Pharmacol. 31 (1987) 625-627
100. A. Ruff, P Hamzeh Lietman, G. Siberry, R. Boulos, K. Bell, M. McBrien, H. Davis, J. Coberly, D. Joseph, N. Halsey, 34th Interscience Conference on Antimicrobial Agents and Chemotherapy, American Society for Microbiology, Orlando, Florida, October 1994.
101. Shimoyama R., Ohkubo T., and Sugawara K. Biomed. Chromatogr. 13 (1999) 370-372