Receptor modeling case study

Receptor Modeling for Air Quality Management, edited by P.K. Hopke Design and Optimization in Organic Synthesis, by R. Carlson Multivariate Pattern Recognition in Chemometrics, illustrated by case studies, edited by R.G. Brereton... 

As discussed above, many detailed studies of sources are needed to establish compositions of source components for receptor-model use. Coal-fired power plants have been studied more than other sources, but even In that case, there are not nearly enough data to establish trends for predicting components for plants that have not been studied. The situation Is much worse for most other sources, except possibly refuse Incinerators, of which the three studied release particles of very similar compositions (9, 10). 

When sources are studied, several things should be done to provide data needed for receptor-model applications. First, particles should be collected In at least two different size fractions corresponding to the division at about 2.5-ym dlam now used In many studies of ambient aerosols. In some cases. It may be desirable to have more size cuts. As noted above, compositions of particles from coal combustion change dramatically below about 0.5-pm dlam (44, 46). Above we Identified a minimum of about twenty elements that should be measured. Also, In order to develop adequate markers for sources that emit carbonaceous particles, measurements of organic compounds and other properties related to carbonaceous particles should be made. 

Viana M, Pandolfi M, Minguillon MC, Querol X, Alastuey A, Monfort E, Celades I (2008) Inter-comparison of receptor models for PM source apportionment case study in an industrial area. Atmos Environ 42 3820-3832... 

In any case, such direct binding measures of the dopamine receptor in the AP provides new dimensions in the understanding of the functional role of dopamine in the gland. The detailed examination of the dynamics of the dopamine receptor in the AP offers the simplest model of studying postsynaptic dopamine receptors in isolation and will further our understanding of dopamine receptor-transduced signals in the brain. 

In this case study a simulation strategy, based on a mechanistic PK/PD model, was developed to predict the outcome of the first time in man (FTIM) and proof of concept (POC) study of a new erythropoietin receptor agonist (ERA). A description of the erythropoiesis model, along with the procedures to scale the pharmacokinetics and pharmacodynamics based on preclinical in vivo and in vitro information is presented. The Phase I study design is described and finally the model-based predictions are shown and discussed. 

An important aspect of this point relates to the modeling of drugs in relation to receptors or of substrates in relation to enzymes (see Drug Design). For example, a pharmaceutical company might want to check its library of extant compounds for a specific application as a drug. Let us assume that one has some reasonable idea concerning the shape of the receptor from other studies (in the case of an enzyme, its shape may be known from X-ray diffraction see below). One then searches for a fit of the compounds in the library with the receptor. 

---