Receptors interactions based

Hydrophobicity of an inhibitor and critical micelle concentrations of the inhibitor in forming micelles have been found60 to play a significant role in the case of substituted imidazoles, imidazolines and fatty amines and these correlations do not take into account the electronic interactions. This correlation is based on Hansch s model of drug-receptor interactions based on transport of drug/inhibitor to the site followed by interaction at the site. 

Figure 10. Model of thyroxine binding prealbumin-receptor interaction based on crystallographic protein data (39)...

The conclusion of these studies is that x describes structural characteristics which govers drug-receptor interactions based only on geometric factors, excluding electrostatic interactions. The simplicity in calculating srid the fact that x rests on purely nonempirical data, makes this index (or any other topological index) preferable to empirical parameters like the lipophilicity (log P), which necessitates experimental determinations and reference tables. 

The information contained in the chemical stmcture of a given ligand is without value unless decoded and executed by the appropriate receptor. The pharmacologic analysis of dmg—receptor interactions is based on the understanding of how the dmg is recognized by the receptor, how the dmg—receptor complex forms, and how the dmg—receptor complex initiates its biological action (12). 

As noted in Chapter 1, the most simple and theoretically sound model for drug-receptor interaction is the Langmuir adsorption isotherm. Other models, based on receptor behavior (see Chapter 3), are available. One feature of all of these models (with the exception of some instances of the... 

Analytical models of the heart are a reality. They are based on detailed descriptions of cardiac tissue architecture and anatomy, including the coronary vasculature. In sihco cardiac tissues possess realistic passive mechanical properties, and both electrical and mechanical activity can be simulated with high accuracy. Descriptions of key components of cellular metabolism have been introduced, as have models of drug-receptor interactions. 

For a detailed description of spectral map analysis (SMA), the reader is referred to Section 31.3.5. The method has been designed specifically for the study of drug-receptor interactions [37,44]. The interpretation of the resulting spectral map is different from that of the usual principal components biplot. The former is symmetric with respect to rows and columns, while the latter is not. In particular, the spectral map displays interactions between compounds and receptors. It shows which compounds are most specific for which receptors (or tests) and vice versa. This property will be illustrated by means of an analysis of data reporting on the binding affinities of various opioid analgesics to various opioid receptors [45,46]. In contrast with the previous approach, this application is not based on extra-thermodynamic properties, but is derived entirely from biological activity spectra. 

The organization of chemokine families based on the cysteine sequence has functional significance. Some human chemokines can compete for binding and activation of receptors with other intrafamily chemokines. This raised the possibility that significant structural differences in chemokine-receptor interactions... 

Together, all the inferences from both computational modeling and simulation (which can reveal novel aspects of the receptor mechanisms, based on the dynamic properties of the proteins) serve as mechanistic working hypotheses for new and more focused experiments. This mode of closely considered interactions and synergy between computational developments and experimental probing of the receptor systems has become a sustained characteristic of current studies of structure-function... 

The functional role of residue 7.53 in the conserved NPxxY motif in TM7 as a modulator of receptor activation, based on an interaction with Hx8, the segment C-terminal to TM7 that is known to fold into a helical structure (10,54). 

Receptor-Based Subtype Pharmacophore and Ligand-Target/Antitarget Interaction-Based QSAR... 

Many bacterial adhesins and host receptors have been identified and studied in great depth, as described in Section VII. Therefore, with every new adhesin or receptor discovered, a new opportunity arises to develop an anti-adherence mechanism that may inhibit or block the adhesin-receptor interaction, which is the ultimate aim of anfi-adhesion therapy (Kahane and Ofek, 1996 Moricouf et ah, 1990 Ofek and Doyle, 1994). In actual practice, there are several t) es of anfi-adhesive mechanisms including adhesin-based vaccines, innafe hosf-derived anti-adhesives, probiotics, adhesin analogs, and receptor analogs. 

Handl, H. L., Gillies, R. J. Lanthanide-based luminescent assays for ligand-receptor interactions. Life Sci. 2005, 77, 361-671. 

Screening for noncovalent ligand-receptor interactions by electrospray ionization mass spectrometry-based diffusion measurements. Anal. Chem. 2004, 76, 7077-7083. 

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