Drug Metabolism Prediction by Johannes Kirchmair, Raimund Mannhold, Hugo Kubinyi, Gerd

By Johannes Kirchmair, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

The 1st expert reference in this hugely proper subject, for drug builders, pharmacologists and toxicologists.
The authors supply greater than a scientific assessment of computational instruments and data bases for drug metabolism examine and their underlying ideas. they target to express their specialist wisdom distilled from a long time of expertise within the box. as well as the basics, computational methods and their functions, this quantity offers specialist debts of the most recent experimental tools for investigating drug metabolism in 4 committed chapters. The authors speak about an important caveats and customary blunders to contemplate while operating with experimental data.
Collating the information won over the last decade, this practice-oriented advisor provides equipment not just utilized in drug improvement, but in addition within the improvement and toxicological overview of cosmetics, practical meals, agrochemicals, and ingredients for purchaser items, making it a useful reference in numerous disciplines.

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Drug Metabolism Prediction

The 1st specialist reference in this hugely appropriate subject, for drug builders, pharmacologists and toxicologists. The authors supply greater than a scientific evaluation of computational instruments and data bases for drug metabolism study and their underlying rules. they target to exhibit their specialist wisdom distilled from decades of expertise within the box.

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It emphasizes that a metabolite, once formed, will also be involved in PK processes. More important, the figure highlights the fact that metabolite(s) may also play PD roles. Such roles are two, namely pharmacological activity and/or toxic effects (modified from Ref. [23]). 2 Why? ” In pharmacology, one speaks of “pharmacodynamic (PD) effects” to indicate what a drug does to the body, and “pharmacokinetic (PK) effects” to indicate what the body does to the drug [24]. But one must appreciate that these two aspects of the behavior of xenobiotics are inextricably interdependent.

2011) Lipophilicity and its relationship with drug passive permeation. Pharmaceutical Research, 28, 962–977. M. (2007) The biology and function of transporters, in ADME-Tox Approaches, vol. 5 (eds B. Testa and H. B. J. Triggle), Elsevier, Oxford, pp. 51–85. A. and Dalvie, D. (2012) Why do metabolites circulate? Xenobiotica, 42, 107–126. , and Hu, M. (2005) Coupling of conjugating enzymes and efflux transporters: impact on bioavailability and drug interactions. Current Drug Metabolism, 6, 455–468.

This issue will not be discussed further. 1 The Many Factors Influencing Drug Metabolism A large variety of factors are known to influence drug metabolism in a quantitative and even qualitative manner. What is more, some of these factors also interfere with the effects of others, adding to their direct influence on drug metabolism an indirect and nonlinear component. 3 presents a conventional classification dividing these factors into inter-individual and intra-individual ones [77–83]. Such a table, although selfexplanatory and useful, is a static one that fails to inform on the dynamics of the many actions and interactions influencing the drug metabolism response.

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