Biosimulation in drug development

This first comprehensive survey to cover all pharmaceutically relevant topics provides a comprehensive introduction to this novel and revolutionary tool, presenting both concepts and application examples of biosimulated cells, organs and organisms. Following an introduction to the role of biosimulat...

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Bibliographic Details
Corporate Authors: Wiley InterScience (Online service)
Group Author: Bertau, Martin.; Mosekilde, Erik.; Westerhoff, Hans V.
Published:
Literature type: Electronic eBook
Language: English
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Online Access: http://onlinelibrary.wiley.com/book/10.1002/9783527622672
Summary: This first comprehensive survey to cover all pharmaceutically relevant topics provides a comprehensive introduction to this novel and revolutionary tool, presenting both concepts and application examples of biosimulated cells, organs and organisms. Following an introduction to the role of biosimulation in drug development, the authors go on to discuss the simulation of cells and tissues, as well as simulating drug action and effect. A further section is devoted to simulating networks and populations, and the whole is rounded off by a look at the potential for biosimulation in industrial drug d.
Carrier Form: xxviii, 512 p. : ill. (some col.) ; 25 cm.
Bibliography: Includes bibliographical references and index.
ISBN: 9783527622672
3527622675
9783527622689 (electronic bk.)
3527622683 (electronic bk.)
1281946982
9781281946980
Index Number: RM301
CLC: R914
Contents: Cover -- Contents -- Preface -- List of Contributors -- Part I Introduction -- 1 Simulation in Clinical Drug Development -- 1.1 Introduction -- 1.2 Models for Simulations -- 1.3 Simulations in Clinical Drug Development: Practical Examples -- 1.4 Conclusions -- 2 Modeling of Complex Biomedical Systems -- 2.1 Introduction -- 2.2 Pulsatile Secretion of Insulin -- 2.3 Subcutaneous Absorption of Insulin -- 2.4 Bursting Pancreatic 946;-Cells -- 2.5 Conclusions -- 3 Biosimulation of Drug Metabolism -- 3.1 Introduction -- 3.2 Experimental Approaches -- 3.3 The Biosimulation Approach -- 3.4 Ethical Issues -- 3.5 PharmBiosim 8211; a Computer Model of Drug Metabolism in Yeast -- 3.6 Computational Modeling -- 3.7 Application of the Model to Predict Drug Metabolism -- 3.8 Conclusions -- Part II Simulating Cells and Tissues -- 4 Correlation Between In Vitro, In Situ, and In Vivo Models -- 4.1 Introduction -- 4.2 Biophysical Models of Intestinal Absorption -- 4.3 Influence of Surfactants on Intestinal Permeability -- 4.4 Modeling and Predicting Fraction Absorbed from Permeability Values -- 4.5 Characterization of Active Transport Parameters -- 5 Core-Box Modeling in the Biosimulation of Drug Action -- 5.1 Introduction -- 5.2 Core-Box Modeling -- 5.3 A Core-Box Model for Insulin Receptor Phosphorylation and Internalization in Adipocytes -- 5.4 Discussion -- 5.5 Summary -- 6 The Glucose8211;Insulin Control System -- 6.1 Introduction -- 6.2 Biological Control Systems -- 6.3 Glucose Sensing -- 6.4 Glucose Handling -- 6.5 The Control System at Large -- 6.6 Conclusions -- 7 Biological Rhythms in Mental Disorders -- 7.1 Introduction: Mental Disorders as Multi-scale and Multiple-system Diseases -- 7.2 The Time Course of Recurrent Mood Disorders: Periodic, Noisy and Chaotic Disease Patterns -- 7.3 Mood Related Disturbances of Circadian Rhythms: Sleep8211;Wake Cycles and HPA Axis -- 7.4 Neuronal Rhythms: Oscillations and Synchronization -- 7.5 Summary and Conclusions: The Fractal Dimensions of Function -- 8 Energy Metabolism in Conformational Diseases -- 8.1 What is the Major Energy Source of the Brain? -- 8.2 Unfolded/Misfolded Proteins Impair Energy Metabolism -- 8.3 Interactions of Glycolytic Enzymes with 8220;Neurodegenerative Proteins8221; -- 8.4 Post-translational Modifications of Glycolytic Enzymes -- 8.5 Triosephosphate Isomerase Deficiency, a Unique Glycolytic Enzymopathy -- 8.6 Microcompartmentation in Energy Metabolism -- 8.7 Concluding Remarks -- 9 Heart Simulation, Arrhythmia, and the Actions of Drugs -- 9.1 The Problem -- 9.2 Origin of the Problem -- 9.3 Avoiding the Problem -- 9.4 Multiple Cellular Mechanisms of Arrhythmia -- 9.5 Linking Levels: Building the Virtual Heart -- Part III Technologies for Simulating Drug Action and Effect -- 10 Optimizing Temporal Patterns of Anticancer Drug Delivery by Simulations of a Cell Cycle Automaton -- 10.1 Introduction -- 10.2 An Automaton Model for the Cell Cycle -- 10.3 Assessing the Efficacy of Circadian Delivery of the Anticancer Drug 5-FU -- 10.4 Discussion -- 11 Probability of Exocytosis in Pancreatic 946;-Cells: Dependence on Ca(2+) Sensing Latency Times, Ca(2+) Channel Kinetic Parameters, and Channel Clustering -- 11.1 Introduction -- 11.2 Theory -- 11.3 Mathematical Model -- 11.4 Dwell Time Distributions -- 11.5 Waiting Time Distrib.