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Author (up) David Roche; Debora Gil; Jesus Giraldo
Title Mathematical modeling of G protein-coupled receptor function: What can we learn from empirical and mechanistic models? Type Book Chapter
Year 2014 Publication G Protein-Coupled Receptors – Modeling and Simulation Advances in Experimental Medicine and Biology Abbreviated Journal
Volume 796 Issue 3 Pages 159-181
Keywords β-arrestin; biased agonism; curve fitting; empirical modeling; evolutionary algorithm; functional selectivity; G protein; GPCR; Hill coefficient; intrinsic efficacy; inverse agonism; mathematical modeling; mechanistic modeling; operational model; parameter optimization; receptor dimer; receptor oligomerization; receptor constitutive activity; signal transduction; two-state model
Abstract Empirical and mechanistic models differ in their approaches to the analysis of pharmacological effect. Whereas the parameters of the former are not physical constants those of the latter embody the nature, often complex, of biology. Empirical models are exclusively used for curve fitting, merely to characterize the shape of the E/[A] curves. Mechanistic models, on the contrary, enable the examination of mechanistic hypotheses by parameter simulation. Regretfully, the many parameters that mechanistic models may include can represent a great difficulty for curve fitting, representing, thus, a challenge for computational method development. In the present study some empirical and mechanistic models are shown and the connections, which may appear in a number of cases between them, are analyzed from the curves they yield. It may be concluded that systematic and careful curve shape analysis can be extremely useful for the understanding of receptor function, ligand classification and drug discovery, thus providing a common language for the communication between pharmacologists and medicinal chemists.
Corporate Author Thesis
Publisher Springer Netherlands Place of Publication Editor
Language Summary Language Original Title
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0065-2598 ISBN 978-94-007-7422-3 Medium
Area Expedition Conference
Notes IAM; 600.075 Approved no
Call Number IAM @ iam @ RGG2014 Serial 2197
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