MetabolExpert


BASIC LITERATURE

  1. Drugs' organism-internal fate and examination methods, Edited by: Dr. Huba Kalász and Dr. József Lengyel, Drugs' organism-internal fate and examination methods Pages 77-81, 107-119 (2004)

  2. Chemical and Biochemical Aspects, Testa, P. Jenner, Drug Metabolism, M. Dekker, Inc., New York, (1976)

  3. Biotransformation von Arzneimitteln, Pfeifer S, Borchert H, VEB Verlag Volk und Gesundheit, Berlin, (1983)

  4. Metabolic Maps of Pesticides. Ecotoxicology and Environmental Quality Series, Hiroyasu Aizawa, Editor Frederik Coulston and Freidhelm Korte, Academic Press, Inc. vol I and vol II. (1982,1989)

  5. Progress in Pesticide Biochemistry and Toxicology, Hutson, D. H. and T. R. Roberts, Edited by. John Willey and Sons (1983)

  6. Logic and Mechanical Theorem Proving, Chang C. L., Lee R. C. T., Academic Press, New York, P. 157. (1973)

Source of Metabolic Reactions

PAPERS QUOTING

  1. Techniques: Application of systems biology to absorption, distribution, metabolism, excretion and toxicity, Ekins S., Nikolsky Y., Nikolskaya T., Trends in Pharmacological Sciences, Volume 26, Issue 4 , April 2005, Pages 202-209

  2. Bridging cheminformatic metabolite prediction and tandem mass spectrometry, Anari M.R., Baillie T.A., Drug Discovery Today, Volume 10, Issue 10, 15 May 2005, Pages 711-717

  3. Quantitative structure-pharmacokinetic relationships for disposition parameters of cephalosporins, Vangelis Karalis, Anna Tsantili-Kakoulidou and Panos Macheras, European Journal of Pharmaceutical Sciences, Volume 20, Issue 1 , September 2003, Pages 115-123

  4. Molecular modelling of human CYP1B1 substrate interactions and investigation of allelic variant effects on metabolism, David F. V. Lewis, Elizabeth M. J. Gillam, Steven A. Everett and Tsutomu Shimada, Chemico-Biological Interactions, Volume 145, Issue 3 , 15 June 2003, Pages 281-295

  5. Homology modelling of CYP2A6 based on the CYP2C5 crystallographic template: enzyme-substrate interactions and QSARs for binding affinity and inhibition, D. F. V. Lewis, B. G. Lake, M. Dickins and P. S. Goldfarb, Toxicology in Vitro, Volume 17, Issue 2 , April 2003, Pages 179-190

  6. Effects of cholesterol on dye leakage induced by multidrug-resistance modulators from anionic liposomes, Madeleine Castaing, Alain Loiseau and Leila Djoudi, European Journal of Pharmaceutical Sciences, Volume 18, Issue 1, January 2003, Pages 81-88

  7. MetabolExpert, an expert system for predicting metabolism of substances, in QSAR in Environmental Toxicology, Darvas F., - Ed. K.L.E. Kaiser, D. Riedel, Publishing Company, pp. 71-81.(1987)

  8. Metabolexpert: Its Use in Metabolism Research and in Combinatorial Chemistry, in Drug Metabolism, Databases and High-Throughput Testing During Drug Design and Development, Darvas F, Marokházi S, Kormos P, Kulkarni G, Kalász H, Papp Á, Ed. by P.W. Erhardt, IUPAC, Toledo, Ohio, pp. 237-270 (1999)

  9. Assessing the reliability of methods for predicting drug metabolites, Johnson M,, J Biopharm Stat, 1:27-56 (1991)

  10. Computer systems for the prediction of xenobiotic metabolism, Langowski J and Long A, Advanced Drug Delivery Reviews Volume 54, Issue 3, 31 March, Pages 407-415 (2002)

  11. Computerized design of separation strategies by reversed-phase liquid chromatography: development of DryLab software, Molnar I., Journal of Chromatography A, Volume 965, Issues 1-2, 2 August, Pages 175-194 (2002)

  12. Á. Tarcsay, R. Kiss, és G. M. Keserű, „Site of metabolismpredictiononcytochromeP450 2C9: a knowledge-baseddockingapproach”, Journal of Computer-AidedMolecularDesign, vol. 24, o. 399-408, Apr2010.



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