ADME-Tox absorption, distribution

The Basic Concept of the QSAR Technique. The QSAR technique has been widely employed in modeling biological activities as well as ADME/Tox (absorption, distribution, metabolism, excretion, toxicity) properties. This approach was first introduced by Flansch et al. in 1963, on the basis of linear... 

ADME/Tox Absorption, distribution, metabolism, excretion/toxicology CACO-2 Colonic adenocarcinoma 2 (human cell line)... 

ADME-tox absorption, distribution, metabolism, and excretion/toxicologic properties ECS0 median effective concentration IC50 median inhibitory concentration MIC minimum inhibitory concentration MLSMR Molecular Libraries Small Molecule Repository TAACF-NIAID Tuberculosis Antimicrobial Acquisition and Coordinating Facility/ National Institute of Allergy and Infectious Diseases... 

A variety of computational methods have recently been applied to the construction of predictive models in the field of ADME/Tox (Absorption, Distribution, Metabolism, Excretion, and Toxicology), and these models can be classified into two types ... 

Ion channels are membrane proteins that play essential roles in cell physiology and pharmacology (also see Chapter 13). Consequently they have been identified as potential targets for novel therapeutic compounds in a range of disease areas [76], such as cardiovascular disorders, central and peripheral nervous system disorders, and metabolic disorders. Unfortunately, they are also inextricably linked with the absorption, distribution, metabolism, and excretion/ toxicology (ADME/Tox) profile of other therapeutic compounds—often through unforeseen drug-ion channel interactions [77]. 

Tillement, J.-P. and Tremblay, D. (2007) Clinical pharmacokinetic criteria for drug research the why and how of absorption, distribution, metabolism, excretion, and toxicity research, in ADME-Tox Approaches, Vol. 5 (eds B. Testa and... 

Szakacs, G., Varadi, A., Ozvegy-Laczka, C, and Sarkadi, B. (2008) The role of ABC transporters in drug absorption, distribution, metabolism, excretion and toxicity (ADME-Tox). Drug Discovery Today. 13, 379-393. 

BIDD Bioinformatics databases about drugs, natural products, protein targets, ADME (Absorption, Distribution, Metabolism and Excretion)/Tox, and drug-protein binding http //bidd.nus.edu.sg/... 

Proteins may be classified primarily by their sequence or by their function, which may include acting as enzymes, transporters, channels, and receptors (a comprehensive and detailed review would be well beyond the scope of a single book chapter). An alternative way of classifying proteins is to consider the influence they have on drug Absorption, Metabolism, Distribution, Excretion, and Toxicology (ADME/Tox). A complete picture of any one protein system from expression, regulation, substrate and inhibitor selectivity, or protein-protein interaction is not currently feasible. We are therefore left... 

The final chapter in this volume (Chapter 6) covers a topic that has been of major concern to computational chemists working in the pharmaceutical industry Absorption, Metabolism, Distribution, Excretion, and Toxicology (ADME/Tox) of drugs. The authors of this chapter. Dr. Sean Ekins and Professor Peter Swaan, an industrial scientist and an academician, respectively. 

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