Model receptor-based

Quantitative Assessment of Toxidty Mechanism of Action. . Regression-based QSAR models Receptor-based ligand screening... 

Evers A, Klebe G. Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model. J Med Ghent 2004 47 5381-92. 

Ligand-Based and Receptor-Based Pharmacophore Modeling and QSAR Analysis... 

Fig. 3.1 Steps involved in drug discovery approach - a typical example. Joint efforts of classical genomics, proteomics, homology modelling, receptor- or structure-based screening approaches, and finally the structural biology efforts to determine the 3D structures of target reeeptor and receptor-ligand complex to get structural insight info their interactions...

G. W. De Young and J. Keizer, A single-pool inositol 1,4,5-trisphosphate-receptor-based model for agonist-stimulated oscillations in Ca " concentration. Proc. Natl. Acad. Sci. USA 89,9895-9899 (1992). 

There are two general types of aerosol source apportionment methods dispersion models and receptor models. Receptor models are divided into microscopic methods and chemical methods. Chemical mass balance, principal component factor analysis, target transformation factor analysis, etc. are all based on the same mathematical model and simply represent different approaches to solution of the fundamental receptor model equation. All require conservation of mass, as well as source composition information for qualitative analysis and a mass balance for a quantitative analysis. Each interpretive approach to the receptor model yields unique information useful in establishing the credibility of a study s final results. Source apportionment sutdies using the receptor model should include interpretation of the chemical data set by both multivariate methods. 

The following two categories of methods can be identified, in terms of the input information for shape analysis tools (1) ligand-based analysis, where receptor s structural information is not included in the analysis and (2) receptor-based methods, where the structural information of the receptor is an integral part of the analysis process and is essential in formulating the models. 

Figure 2. Scheme illustrating the neural, hormonal and paracrine pathways regulating acid secretion from the parietal cell. The model includes all the possible localizations of H3 receptors, based on the available data from the literature concerning different experimental preparations. The inhibitory function (—11) of H3 receptors gives rise to different final effects on acid secretion according to the cell involved this may depend on the animal species, as described in the text. 

Outside of the Ga subunit, two models for receptor-mediated GDP release involve an active role for the G/]y subunit (Fig. 7). These models are based on the hypothesis that Gfiy functions in heterotrimeric G proteins as a structural homologue to the guanine nucleotide exchange factors for... 

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