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Drug-receptor molecular interactions

Mathematical models are the link between what is observed experimentally and what is thought to occur at the molecular level. In physical sciences, such as chemistry, there is a direct correspondence between the experimental observation and the molecular world (i.e., a nuclear magnetic resonance spectrum directly reflects the interaction of hydrogen atoms on a molecule). In pharmacology the observations are much more indirect, leaving a much wider gap between the physical chemistry involved in drug-receptor interaction and what the cell does in response to those interactions (through the cellular veil ). Hence, models become uniquely important. [Pg.42]

Dean, P.M. (1987) Molecular Foundations of Drug-Receptor Interaction, Cambridge University Press, New York. [Pg.78]

Weinstein, H., R. Osman, and J. P. Green. 1979. The Molecular Basis of Structure-Activity Relationships Quantum Chemical Recognition Mechanisms in Drug-Receptor Interactions. In Computer-Assisted Drug Design. E. C. Olson and R. E. Christofferson, eds. American Chemical Society, Washington, D.C. [Pg.83]

Drug-receptor interactions Dose-response relationships Molecular modeLs of receptors and signal transduction mechanisms Biotr an s fo r m ati on Ph ar macokine t ios Ph armacody namics... [Pg.28]

Goodford P.J.(1998) Atom movements during drug-receptor interactions, in Rational Molecular Design in Drug Research, (eds Liljefors,T., Jorgensen, F.S. [Pg.291]

Koehler, K. F., Rao, S. N., and Snyder, J. R (1996) Modeling drug-receptor interactions. In Guidebook on molecular modeling in drug design, Claude Cohen (ed.), Academic Press, New York, pp. 235-336. [Pg.446]

As the electrostatic potential is of importance in the study of intermolecular interactions, it has received considerable attention during the past two decades (see, e.g., articles on the molecular potential of biomolecules in Politzer and Truhlar 1981). It plays a key role in the process of molecular recognition, including drug-receptor interactions, and is an important function in the evaluation of the lattice energy, not only of ionic crystals. [Pg.165]

It is thus a higher form of molecular "behaviour than selective com-plexation alone and involves two stages of information input. Enzyme reactions are examples of such processes, as well as, for instance, drug-receptor interactions. Two substrates could, in principle, display very similar thermodynamic and kinetic complexation behaviour (no selection) but still only one of them may be able to undergo a specific reaction (because of geometrical differences, for instance) and thus be recognized. [Pg.4]

Thermodynamic analysis offers an insight into the molecular events underlying drug-receptor interactions (Testa etal., 1987 Raffa and Porreca, 1989). The thermodynamic quantification of binding may be obtained through application of the familiar equations (6) and (7)... [Pg.49]

Limitations of molecular pharmacology. Some implications of the basic assumptions underlying calculations on drug-receptor interactions and the significance of biological drug parameters, 3, 189... [Pg.278]

Modeling of Drug-Receptor Interactions. The identification of molecular interactions between drugs and their receptor or enzyme targets and the three-dimensional spatial requirements of the macromolecular binding pocket are important for the rational design of new, more selective. [Pg.1266]

Dean PM (1987) Molecular foundations of drug-receptor interaction. Cambridge University Press, Cambridge... [Pg.69]

It should be added that no experimental evidence exists providing a molecular explanation for the requirements and role of the aromatic hydroxyl(s). Descriptively, it is clear that a hydroxyl "meta" to an aminoethyl fragment is important, but almost nothing is known about the cause of this "meta effect". Only the recent demonstration that this effect is chirally modulated 1 ) suggests that factors extrinsic to the drug (i.e., specific drug-receptor interactions), rather than purely intrinsic factors (e.q., 0-N distance or drug dipoles), may be responsible. [Pg.248]

Determine drug-receptor interactions using techniques like molecular modeling and X-ray crystallography. [Pg.10]

Why is it important to recognise the problems posed by molecular diversity within functionally related sites The answer is simple. Diversity in sites offers the key to specific drug design. Decades of experience from studies of drug-receptor interaction have shown that modifications to the structure of small ligands can reveal a wealth of receptor subtypes empirical classification systems for receptors evolved before sequence data became... [Pg.10]


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See also in sourсe #XX -- [ Pg.141 ]




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