Drug Bioavailability: Estimation of Solubility, by Han van de Waterbeemd, Raimund Mannhold, Hugo Kubinyi,

By Han van de Waterbeemd, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers, Hans Lennernas

The peroral software (swallowing) of a medication signifies that the physique needs to first resorb the lively substance prior to it could start to take influence. The efficacy of drug uptake depends upon the only hand at the chemical features of the lively substance, notably on its solubility and membrane permeability. however, it's decided via the organism's skill to take in prescription drugs in terms of particular shipping proteins or to excrete them. considering the fact that many pharmacologically energetic ingredients are poorly fitted to oral consumption, a decisive criterion for the efficacy of a medication is its so-called bioavailability. Written through a global workforce from academia and the pharmaceutical undefined, this e-book covers all facets of the oral bioavailability of medications. the focal point is put on equipment for settling on the parameters suitable to bioavailability. those diversity from smooth physicochemical suggestions through organic reviews in vitro and in vivo correct as much as computer-aided predictions. The authors in particular tackle probabilities for optimizing bioavailability throughout the early screening level for the lively substance. Its transparent constitution and accomplished assurance make this booklet both compatible for researchers and academics in and educating.

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By Han van de Waterbeemd, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers, Hans Lennernas

The peroral software (swallowing) of a medication signifies that the physique needs to first resorb the lively substance prior to it could start to take influence. The efficacy of drug uptake depends upon the only hand at the chemical features of the lively substance, notably on its solubility and membrane permeability. however, it's decided via the organism's skill to take in prescription drugs in terms of particular shipping proteins or to excrete them. considering the fact that many pharmacologically energetic ingredients are poorly fitted to oral consumption, a decisive criterion for the efficacy of a medication is its so-called bioavailability. Written through a global workforce from academia and the pharmaceutical undefined, this e-book covers all facets of the oral bioavailability of medications. the focal point is put on equipment for settling on the parameters suitable to bioavailability. those diversity from smooth physicochemical suggestions through organic reviews in vitro and in vivo correct as much as computer-aided predictions. The authors in particular tackle probabilities for optimizing bioavailability throughout the early screening level for the lively substance. Its transparent constitution and accomplished assurance make this booklet both compatible for researchers and academics in and educating.

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Additional resources for Drug Bioavailability: Estimation of Solubility, Permeability, Absorption and Bioavailability (Methods and Principles in Medicinal Chemistry)

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Bevan, C. , Lloyd, R. , A highthroughput screening method for the determination of aqueous drug solubility using laser nephelometry in microtiter plates, Anal. Chem. 2000, 72, 1781–1787. , High-throughput measurements of solubility profiles, in: Pharmacokinetic Optimization in Drug Research; Biological, Physicochemical and Computational Strategies. , Guy, R. (eds), WileyVCH, Weinheim & Verlag HCA, Zurich, 2001, pp. 305–325. , Berger, C. , pH-metric solubility. 3. Dissolution titration template method for solubility determination, Eur.

2001, 15, 741–752. , Search for predictive generic model of aqueous solubility using Bayesian neural nets, J. Chem. Inf. Comput. Sci. 2001, 41, 1605–1616. , Development of quantitative structure–property relationship models for early ADME evaluation in drug discovery. 1. Aqueous solubility, J. Chem. Inf. Comput. Sci. 2001, 4, 1633–1639. , Highthroughput and in silico techniques in drug metabolism and pharmacokinetics, Curr. Opin. Drug Dis. Dev. 2002, 5, 33–43. , Carrupt, P. , Lipophilicity behavior of model and medicinal compounds containing a sulfide, sulfoxide, or sulfone moiety, Helv.

1), and can therefore exist in a neutral or a charged state, depending on the pH of the local environment. Molecules are more lipophilic when neutral than when charged. Ionization is expressed by the aqueous ionization constant, pK a . As pointed out below, log D is a pK adependent term for ionizable drugs. Permeability and aqueous solubility are also pK a -dependent. Lipophilicity, pK a , permeability through artificial membranes and Tab. 1. Number of ionizable drugs in World Drug Index 1999. 9% of total Percentage of acids with .

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