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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Additional info for Drug Metabolism Prediction
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. ). 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 . 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.