Computer-Aided Drug Design and Delivery Systems

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ISBN: 9780071701242 | 0071701249
Cover: Hardcover
Copyright: 9/2/2010

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The latest breakthroughs in computer-aided drug design, drug delivery systems, and enabling technologiesComputer Aided Drug Design (CADD) and Delivery Systemsoffers an in-depth discussion of the computer-assisted techniques used to discover, design, and optimize new, effective, and safe drugs. Recent technological developments in biochemistry, biomedical science, and nanotechnology have made computer-aided drug design and delivery systems possible on a molecular basis. This in-depth treatise covers these pioneering advances.This text reviews all the enabling technologies such as bioinformatics, pharmacokinetics, biosensors, robotics, and bioinstrumentations. The progressive writing style allows you to establish solid fundamental knowledge of cell biology and utilization of the basics to applications such as drug delivery mechanisms and bioinstrumentations.Computer Aided Drug Design (CADD) and Delivery Systemsfeatures: Objective and quantitative data on the use of drugs in humans Bioinformatics information with an emphasis computer-aided genome sequence modeling Coverage of the latest pharmaceutical applications utilizing biochemical engineering Practical examples of how recent advances in biochemistry are assisting new drug discovery and molecular-based drug delivery

Preface	p. xiii
Computer-Aided Drug Design (CADD)	p. 1
Introduction	p. 1
Rational Drug Design	p. 1
Factors Contributing to Drug Discovery	p. 3
Drug Design with the Help of Software	p. 3
Drug Discovery Process	p. 3
How Computers Help in Drug Design	p. 4
Computer Simulation for Drug Design	p. 6
Drug Design Theory	p. 6
Role of Computers in Drug Design: Their Success and Failure	p. 9
Rational Drug Design Software	p. 10
Scanners	p. 10
Builders	p. 12
Hybrids	p. 13
RACHEL Software Package	p. 13
RACHEL Component Specification Language	p. 14
References	p. 16
Drug Delivery Systems	p. 17
Introduction	p. 17
Development of Sustained-Release Drug Delivery Systems	p. 18
Delayed-Release Systems	p. 19
Advantages of Sustained Drug Delivery Systems	p. 20
Important Physicochemical Properties of the Drug	p. 20
Aqueous Solubility and pK_a	p. 20
Partition Coefficient	p. 20
Drug Stability	p. 21
Protein Binding	p. 21
Biologic Properties	p. 21
Absorption	p. 21
Distribution	p. 21
Metabolism	p. 22
Elimination and Biologic Half-Life	p. 22
Safety Considerations	p. 22
Transdermal Delivery Systems	p. 22
Membrane-Moderated Systems	p. 23
Adhesive Diffusion-Controlled Systems	p. 23
Matrix Dispersion-Type Systems	p. 23
Microreservoir Systems	p. 24
Targeted Delivery Systems	p. 24
Nanoparticles	p. 24
Liposomes	p. 24
Resealed Erythrocytes	p. 25
Transdermal Delivery Systems	p. 26
Basic Components of Transdermal Devices	p. 27
Choice of Drug	p. 28
Excipients	p. 29
Adhesive and Packaging	p. 29
Pressure-Sensitive Adhesives	p. 30
Peel Adhesion Properties	p. 30
Tack Properties	p. 30
Shear Strength Properties	p. 31
Transdermal Devices	p. 31
Membrane-Moderated Devices (Reservoir Devices)	p. 31
Adhesive Diffusion-Type Devices (Mixed Monolithic Reservoir Devices)	p. 33
Matrix Dispersion-Controlled Device (Monolithic Device)	p. 33
Microreservoir-Type Devices	p. 34
Microreservoir Dissolution-Controlled Devices	p. 35
In Vitro Release Kinetics	p. 35
In Vitro Skin-Permeation Kinetics	p. 36
IV-IV Correlation	p. 36
Optimization of Transdermal Systems	p. 36
Skin Irritation Sensitization	p. 37
References	p. 37
Bioinformatics of Drug Molecules and Databases	p. 39
Introduction	p. 39
The Concepts, Goals, and Aims of Bioinformatics	p. 40
Fields of Bioinformatics: Role and Relevance in Biotechnology	p. 40
Proteomics: Protein Sequence Databases	p. 42
Data Retrieval Systems	p. 43
System Retrieval Systems	p. 43
Applications of Bioinformatics	p. 44
Bioinformatics in Rational Drug Design and the Medical Sciences	p. 44
Bioinformatics and Chemical Engineering	p. 47
Brief Introduction to Bioinformatics Databases	p. 48
Microarray Database	p. 51
Bioinformatics Scenario	p. 52
References	p. 54
Lipase- and Esterase-Mediated Drugs and Drug Intermediates	p. 57
Introduction	p. 57
Lipase Used in Biotransformations	p. 57
Solvents for Biocatalysis	p. 58
Sources of Lipase	p. 58
Location of Action	p. 59
Structure of Lipase	p. 59
Mechanism of Action	p. 59
Production of Lipase	p. 60
Statistical Design Approach for Optimization of Process Parameters and Nutritional Requirement for Lipase Production	p. 61
Immobilization	p. 61
Role of Lipases in the Preparation of Drugs and Drug Intermediates	p. 63
Esterase as Hydrolase Enzyme	p. 77
Esterase Production	p. 77
Preparation of Drugs and Drug Intermediates by Esterases	p. 79
References	p. 87
Pharmacokinetics and Pharmacodynamics in Drugs	p. 91
Introduction	p. 91
Pharmacokinetic Parameters	p. 91
Pharmacodynamic Parameters	p. 92
Absorption of Drugs	p. 93
Factors Affecting Drug Absorption	p. 93
Mechanism of Drug Absorption	p. 93
Factors Influencing Drug Absorption	p. 97
Manufacturing Variables	p. 103
Distribution of Drugs	p. 104
Factors Affecting Drug Distribution	p. 104
Factors Affecting Differences in the Distribution of Drugs	p. 104
Plasma Protein Binding	p. 105
Physiologic Barriers	p. 106
Biotransformation/Metabolism	p. 108
Excretion of Drugs	p. 124
Pharmacokinetic Equations	p. 126
Pharmacodynamics	p. 128
Factors Influencing Drug Action	p. 130
How Does a Drug Act?	p. 132
References	p. 135
Biomarkers, Biosensors, and Robotics in Medicine	p. 137
Introduction	p. 137
Developmental History of Biomarkers	p. 138
Different Types of Biomarkers	p. 139
Use of Biomarkers in Cancer	p. 143
Biomarkers in Medical Science	p. 146
Recent Advances in Biomarkers	p. 146
Disadvantages of Biomarkers	p. 147
Biosensors	p. 147
Developmental History of Biosensors	p. 148
General Instrumentation and Operation of a Biosensor	p. 149
Biosensors in Drug Design	p. 152
Biosensors in Biomedical Research	p. 152
Robotics in Surgery	p. 157
Background and History of Surgical Robots	p. 158
Robot-Assisted Surgery	p. 160
Advantages and Disadvantages of Robot-Assisted Surgery	p. 163
Applications of Robotic Surgery	p. 164
Practical Uses of Surgical Robots Today	p. 165
Future of Robotic Surgery	p. 165
Conclusion	p. 166
References	p. 167
Biomedical Instrumentation	p. 169
Introduction	p. 169
Biomedical Instrumentation Measurements	p. 170
Instrumentation for Cardiovascular Measurements	p. 172
Measurement of Blood Flow and Cardiac Output	p. 178
Measurement of Heart Sounds	p. 181
Instrumentation for Measurements of the Nervous System	p. 181
Electromyographic Measurements	p. 183
Instrumentation for Psychophysiologic Measurements	p. 184
Instrumentation for the Experimental Analysis of Behavior	p. 185
Respiratory Therapy Equipment	p. 186
Pacemakers and Defibrillators	p. 186
Instrumentation for the Medical Use of Radioisotopes	p. 188
Ophthalmic and ENT Instruments	p. 188
Ultrasonography	p. 192
Computed Tomographic Scanning (CT Scanning)	p. 195
Positron-Emission Tomographic (PET) Scanning	p. 196
Magnetic Resonance Imaging	p. 197
References	p. 198
Index	p. 201
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Computer-Aided Drug Design and Delivery Systems

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