Adsorption, distribution

The partition coefficient and aqueous solubility are properties important for the study of the adsorption, distribution, metabolism, excretion, and toxicity (ADME-Tox) of drugs. The prediction of the ADME-Tox properties of drug candidates has recently attracted much interest because these properties account for the failure of about 60 % of all drug candidates in the clinical phases. The prediction of these properties in an early phase of the drug development process could therefore lead to significant savings in research and development costs. 

ADMET adsorption, distribution, metabolism, excretion and toxicity... 

Penicillamine Adsorption, Distribution, Metabolism, and Elimination Profile... 

The values of q are plotted as a function of the equilibrium concentration. For constituents at low or moderate concentrations, the relationship between q and C can be generated. If n = 1, the (q-C) relationship will be linear (Eq. 9), and the slope of the line (i.e.,ITd) defines the adsorption distribution of the pollutant. Kd is generally identified as the distribution or partition coefficient, and is used to describe pollutant partitioning between liquid and solids only if the reactions that cause the partitioning are fast and reversible, and if the isotherm is linear. For cases where the partitioning of the pollutants can be adequately described by the distribution coefficient (i. e.,fast and reversible adsorption, with linear isotherm), the retardation factor (R) of the subsurface environment can be used as follows ... 

Key words PGVL Hub, combinatorial chemistry, library design, reaction, synthesis protocol, reactant, product, enumeration, filtering, Chkl, kinase, inhibitor, SAR, ADME T (Adsorption, Distribution, Metabolism, Excretion, and Toxicity), selectivity, solubility, protein-ligand complex. 

Toxicokinetics (driven by adsorption, distribution, metabolism, and excretion, or ADME) is the primary determinant of differences in body burden, target tissue... 

Gonod. J.W. and J. Wahren Nicotine and Related Alkaloids. Adsorption, Distribution, Metabolism and Excretion, Chapman Hall. New York, NY, 1993. 

Abbreviations ADME, Adsorption distribution metabolism excretion CSF, Cerebrospinal fluid PAMPA, Parallel artificial membrane permeability assay. 

ADME studies (adsorption, distribution, metabolism and excretion)... 

The present chapter will focus on one part of early ADME (Adsorption, Distribution, Metabolism, Excretion) strategy the absorption and efflux screening. 

ADME/Tox (adsorption, distribution, metabolism and excretion/toxicology). Such characterisation will allow prioritisation of HTS hits and thus, enhance the chance of focusing on the chemotypes that may have a lower attrition rate in the later stage of development. 

Jones, R.M., Toxicity of fumigant-C02 mixtures to the red flour beetle, /. Econ. EntomoL, 31, 298,1938. LeRoux, E.J. and Morrison, F.O., The adsorption, distribution, and site of action of DDT in DDT-resistant and DDT-susceptible house flies using carbon14 labelled DDT, /. Econ. EntomoL, 47, 1058,1954. 

FIGURE 9.12 Excess adsorption isotherms for ideal bindary solution with infinite solubility for different values of K the adsorption distribution constant given by equation 9.44. 

This perspective has examined the approaches to molecular modeling and drug design and emphasized their limitations. The reader should be aware, however, that these tools are daily used on many problems of therapeutic interest with increasing success. This is clearly witnessed by publications of such studies in almost every issue of current major journals. For specific application areas, such as RNA (490, 491), DNA (492-496), membrane (497-507), or peptidomimetic modeling (382, 508-513), the reader is referred to the literature. The prediction of molecular properties, such as log P and correlation between substructures and metabolism, has led to a dramatic increase in efforts to correlate adsorption, distribution (514), metabolism (515-617), and elimination (ADME) with chemical... 

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