Sean Ekins's Computational Toxicology: Risk Assessment for Pharmaceutical PDF

By Sean Ekins

ISBN-10: 0470049626

ISBN-13: 9780470049624

ISBN-10: 0470145889

ISBN-13: 9780470145883

A accomplished research of state of the art molecular modeling techniques and methods utilized to danger overview for pharmaceutical and environmental chemicalsThis particular quantity describes how the interplay of molecules with toxicologically proper pursuits could be envisioned utilizing computer-based instruments using X-ray crystal constructions or homology, receptor, pharmacophore, and quantitative constitution task courting (QSAR) versions of human proteins. It covers the in vitro types used, more moderen applied sciences, and regulatory features. The ebook deals an entire structures viewpoint to chance evaluate prediction, discussing experimental and computational techniques intimately, with:*An creation to toxicology tools and a proof of computational methods*In-depth reports of QSAR tools utilized to enzymes, transporters, nuclear receptors, and ion channels*Sections on using pcs to toxicology evaluation within the pharmaceutical and within the environmental arena*Chapters written through prime foreign experts*Figures that illustrate computational versions and references for additional informationThis is a key source for toxicologists and scientists within the pharmaceutical and environmental sciences in addition to researchers occupied with ADMET, drug discovery, and expertise and software program improvement.

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Extra info for Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals (Wiley Series on Technologies for the Pharmaceutical Industry)

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Gad SC. Genotoxicity. In: Gad SC, editor, Drug safety evaluation. New York: Wiley, 2002. p. 176–236. 5. Gad SC. Developmental and reproductive toxicity testing. In: Gad SC, editor, Drug safety evaluation, New York: Wiley, 2002. p. 258–96. 6. Anonymous. Benzene material safety data sheet. com . 7. Bakhshi S, Baynes R. Aplastic anemia. eMedicine on-line 2006 . 8. Sturtevant JM, Pillans PI, Mackenzie F, Gibbs HH. Heparin-induced thrombocytopenia: Recent experience in a large teaching hospital.

After exchanging some pleasantries, their conversation turned to their respective industry and applications of new technology. What single most transforming technology they found integral to the growth of these two different industries? Not Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals, Edited by Sean Ekins Copyright © 2007 by John Wiley & Sons, Inc. 21 22 IN VITRO TOXICOLOGY surprisingly, it is computer science and information technology. In silico calculations of aerodynamics are critical in the complex design of any new models of airplanes.

Drugs that decrease the capacity of the heart to use substrate and generate ATP can be very harmful to the heart. Examples of toxicants believed to act by this mechanism include cyanide, glycolysis inhibitors such as emetine [19], and Krebs-cycle metabolism inhibitors such as the cardiotoxic anthracycline doxorubicin [18]. In addition to the necessity of continuous energy generation, the heart must maintain rhythmic function throughout its lifetime. Substances such as cocaine and cyclopropane that decrease the reuptake of norepinephrine after its release from noradrenergic neurons are prone to cause fatal arrhythmias.

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Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals (Wiley Series on Technologies for the Pharmaceutical Industry) by Sean Ekins


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