Drug discovery and toxicology

R. Perkins, H. Pang, W. Tong, W. J. Welsh (2003). Quantitative structure-activity relationship methods perspectives on drug discovery and toxicology. Environ. Toxicol. Chem. 22 1666-1679. 

Changing Paradigm in Drug Discovery and Toxicology Problem Prevention versus Problem Solving, 611... 

As can be easily observed from the table, tailoring the selected set of indices significantly improved the estimative power of the model, resulting in roughly a 10% increase to the correlation coefficient. These results, as with all of the results we have seen from tailored similarity spaces, are promising and we beheve that tailored spaces will be very useful both in drug discovery and toxicological research. 

Purpose The Division of Pharmacotherapies and Medical Consequences of Drug Abuse (DPMCDA) includes a Medications Development Program (MDP). The Medications Discovery and Toxicology Branch... 

Cunningham, M. 2000. Genomics and proteomics, the new millennium of drug discovery and development. Journal of Pharmacological and Toxicological Methods 44(1), 291-300. 

Three classes of calculated molecular descriptors, viz., topological and substruc-tural descriptors, geometrical (3-D) indices, and quantum chemical (QC) indices, have been extensively used in QSAR studies pertaining to drug discovery and environmental toxicology [8-12],... 

For the present, the utilization of in vivo toxicological models is imperative for responsible risk assessment of new chemical entities. At the same time, the use of the many in vitro models currently available can serve as valuable adjuncts to these in vivo assessments, not only reducing the number of animals used in risk assessment, but providing unique information and possibilities for scientists involved in the drug discovery and development process. 

Evans, D.C., Watt, A.P., NicoD-Griffith, D.A. and Baillie, T.A. (2004) Drug-protein adducts an industry perspective on minimizing the potential for drug bioactivation in drug discovery and development. Chemical Research in Toxicology, 17 (1), 3—16. 

Houck, K.A. and Kavlock, R.J. (2008) Understanding mechanisms of toxicity insights from drug discovery research. Toxicology and Applied Pharmacology,... 

Kalgutkar, A.S. and Soglia, J.R. (2005) Minimising the potential for metabolic activation in drug discovery. Expert Opinion on Drug Metabolism and Toxicology, 1 (1), 91-142. 

Neervannan, S. (2006). Preclinical formulations for discovery and toxicology physicochemical challenges. Expert Opin. Drug Metab. Toxicol., 2 715-731. 

Nassar AEF, Talaat RE (2004) Strategies for dealing with metabolite elucidation in drug discovery and development. Drug Discovery Today 9 317-327 Omiecinski CJ, Hassett C, Hosagrahara V (2000) Epoxide hydrolase-polymorphism and role in toxicology. Toxicol Lett 112-113 365-370... 

These aspects stimulated our decision to publish this volume as a counterpart to Drug Discovery and Evaluation. Pharmacological Assays (Second Edition Springer Verlag 2002). The current book contains three sections. Dr. Franz Jakob Hock shares with me the responsibility for the section Safety Pharmacology Dr. Jochen Maas took over the responsibility for the section Safety Pharmacokinetics and Prof. Dr. Dieter Mayer for the section Safety Toxicology . 

Six scientific disciplines are involved in the developability characterization of a lead discovery candidate. As shown in Figure 4, these disciplines are in vivo pharmacology, bioanalytical method development, nonclinical formulation assessment, animal pharmacokinetics, drug metabolism, and toxicology. The following sections discuss each of these scientific disciplines in more detail. 

Figure 8.1 Stages of drug discovery and development and the expanded involvement of HTS activities. (Dev.=Development Opt.=Optimisation eADME/ Tox=early Absorption, Distribution, Metabolism and Excretion/ Toxicology)...

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