Comprehensive medicinal chemistry II: 5 ADME-Tox approaches
Gespeichert in:
| Format: | Elektronisch E-Book |
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| Sprache: | English |
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Amsterdam [u.a.]
Elsevier
2007
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| Ausgabe: | 1. ed. |
| Online-Zugang: | UBR01 Volltext Inhaltsverzeichnis |
| Beschreibung: | 1 Online-Ressource |
| ISBN: | 0080445187 9780080445182 |
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Datensatz im Suchindex
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| adam_text | Contents
Contents of ail Volumes xi
Préface xix
Préface to Volume 5 xxi
Editors in Chief xxiii
Editors of Volume 5 xxiv
Contributors to Volume 5 xxv
Introduction
5.01 The Why and How of Absorption, Distribution, Metabolism, Excrétion, and Toxicity
Research 1
H VAN DE WATERBEEMD, AstraZeneca, Macclesfield, UK and B TESTA,
University Hospital Centre, Lausanne, Switzerland
Biological and In Vivo Aspects of Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.02 Clinical Pharmacokinetic Criteria for Drug Research 11
J P TILLEMENT, Faculty of Medicine of Paris XII, Paris, France and
D TREMBLAY, AFSSAPS Consultant (French Agency for DrugsJ, France
5.03 In Vivo Absorption, Distribution, Metabolism, and Excrétion Studies in Discovery
and Development 31
T LAVÉ and C FUNK, F. Hoffmann La Roche Ltd, Basel, Switzerland
5.04 The Biology and Function of Transporters 51
J M SCHERRMANN, University of Paris, Paris, France
5.05 Principles of Drug Metabolism 1: Redox Reactions 87
W F TRAGER, University of Washington, Seattle, WA, USA
5.06 Principles of Drug Metabolism 2: Hydrolysis and Conjugation Reactions 133
B TESTA, University Hospital Centre, Lausanne, Switzerland
5.07 Principles of Drug Metabolism 3: Enzymes and Tissues 167
R A TOTAH and A E RETTIE, University of Washington, Seattle, WA, USA
Contents
5.08 Mechanisms of Toxification and Detoxification which Challenge Drug Candidates and
Drugs 193
B OESCH BARTLOMOWICZ and F OESCH, University of Mainz, Muinz, Gcrmuny
5.09 Immunotoxicology 215
C ESSER, Institut fur Unnveltmedizinische Forschung, Heinrich Heine University,
Dusse/dorf, Gernumy
Biological In Vitro Tools in Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.10 In Vitro Studies of Drug Metabolism 231
Y PARMENTIER, M J BOSSANT. M BERTRAND, and B WALTHER,
Technologie Semer, Orléans, France
5.11 Passive Permeability and Active Transport Models for the Prédiction of Oral
Absorption 259
P ARTURSSON. S NEUHOFF, and P MATSSON, Uppsala University, Uppsala,
Sweden and S TA VELIN, Umeâ University, Umeâ, Sweden
5.12 Biological In Vitro Models for Absorption by Nonoral Routes 279
P COLOMBO. S CAGNANI, F SONVICO, and P SANTI, University of Parma,
Parma, Italy, and P RUSSO, University ofSalerno, Fisciano, Italy, and G COLOMBO,
Universitv of Ferrara, Ferrara, Italv
5.13 In Vitro Models for Examining and Predicting Brain Uptake of Drugs 301
N J ABBOTT, King s Collège London, London, UK
5.14 In Vitro Models for Plasma Binding and Tissue Storage 321
P BARTON, R P AUSTIN, and R E FESSEY, AstraZeneca R D Charnwood,
Loughborough, UK
5.15 Progress in Bioanalytics and Automation Robotics for Absorption, Distribution,
Metabolism, and Excrétion Screening 341
J WANG, Novartis Institutes for Biomédical Research, Cambridge, MA, USA and
B FALLER, Novartis Institutes for Biomédical Research, Basel, Switzerland
Physicochemical tools in Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.16 Ionization Constants and lonization Profiles 357
J E A COMER, Sirius Analytical Instruments Ltd, Forest Row, UK
5.17 Dissolution and Solubility 399
A AVDEEF, D VOLOBOY, and A FOREMAN, pION Inc., Woburn, MA, USA
5.18 Lipophilicity, Polarity, and Hydrophobicity 425
G CARON and G ERMONDI, University of Torino, Torino, Italy, and
R A SCHERRER, BIOpK, White Bear Lake, MN, USA
5.19 Artificial Membrane Technologies to Assess Transfer and Permeation of Drugs
in Drug Discovery 453
K SUGANO, Pfizer Inc., A khi, Japon
5.20 Chemical Stability 489
E H KERNS and L DI, Wyeth Research, Princeton, NJ, USA
5.21 Solid State Physicochemistry 509
D GIRON, Novartis Pharma AG, Basel, Switzerland
Contents
In Silico Tools in Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.22 Use of Molecular Descriptors for Absorption, Distribution, Metabolism, and
Excrétion Prédictions 531
S WINIWARTER, M RIDDERSTRÔM, and A L UNGELL. AstraZeneca R D
Molndal, Molndal, Sweden, and T B ANDERSSON, lnstitulc of Environmental
Medicine, Kurolinska Institutet, Stockholm, Swcden, and I ZAMORA, Univcr.sital
Pompcu Fahra, Barcclona, Spain
5.23 Electrotopological State Indices to Assess Molecular and Absorption, Distribution,
Metabolism, Excrétion, and Toxicity Properties 555
L H HALL, Easlcrn Nazarene Collège, Quincv, MA, USA and Hall Associates
Consulting, Quincv, MA, USA, and L B KIER. Virginia Commonwealth Universilv,
Richmond, VA, USA, and L M HALL, Hall Associates Consulting, Quincv, MA. USA
5.24 Molecular Fields to Assess Récognition Forces and Property Spaces 577
G VISTOLI and A PEDRETTI. Institute of Médicinal Chemistrv, University of Milan,
Milan, Italv
5.25 In Silico Prédiction of Ionization 603
R FRACZKIEWICZ, Simulations Plus, Inc., Lancaster, C A. USA
5.26 In Silico Prédictions of Solubility 627
J TASKINEN, University of Helsinki. Helsinki. Fin/and and U NORINDLR,
AstraZeneca R D. Sodertdlje, Sweden
5.27 Rule Based Systems to Predict Lipophilicity 649
I V TETKO, Institute of liioorganic and l elrochemistrv, Kiev, Ukraine and
D J LIVINGSTONE, ChemQuest, Sandown, Isle of Wight. UK
5.28 In Silico Models to Predict Oral Absorption 669
H VAN DE WATERBEEMD, AstraZeneca, Macclesfield, UK
5.29 In Silico Prédiction of Oral Bioavailability 699
J V TURNER, The University of Queenslund, Brisbane, QUI, Australia and
S AGATONOVIC KUSTRIN, The University of Western Australia, Penh,
IVA, Australia
5.30 In Silico Models to Predict Passage through the Skin and Other Barriers 725
M T D CRONIN and M HEWITT, Liverpool John Moores University, Liverpool, UK
5.31 In Silico Models to Predict Brain Uptake 745
M H ABRAHAM, University Collège London, London, TA and A HERSEY. (iSK
Medicines Research Centre, Stevenage, i K
5.32 In Silico Models for Interactions with Transporte™ 767
M WIESE. University of Bonn. Bonn. (îermany and I K. PA.IEVA. Bulgarian Academv
of Sciences. Sofia. Bulgaria
5.33 Comprehensive Expert Systems to Predict Drug Metabolism 795
D R HAWKINS. Huntingdon Life Sciences. Alconhury. UK
5.34 Molecular Modeling and Quantitative Structure Activity Relationship of Substrates
and Inhibitors of Drug Metabolism Enzymes 809
M J DE GROOT. Pfizer Global Research and Development, Sandwich, UK. and
D F V LEWIS. University of Surrey. Guildford, UK, and S MODI. GlaxoSmithKline
Research and Development, Stevenage, UK
Contents
5.35 Modeling and Simulation of Pharmacokinetic Aspects of Cytochrome P450 Based
Metabolic Drug Drug Interactions 827
M DICKINS, Pfizer Global Research and Development, Sandwich, UK, and
A GALETIN, University of Manchester, Manchester, UK, and N PROCTOR, Simcyp,
Sheffield, UK
5.36 In Silico Prédiction of Plasma and Tissue Protein Binding 847
G COLMENAREJO, GlaxoSmithKline, Madrid, Spain
5.37 Physiologically Based Models to Predict Human Pharmacokinetic Parameters 867
T LAVÉ, N PARROTT, and H JONES, F. Hoffmann La Roche Ltd,
Basel, Switzerland
5.38 Mechanism Based Pharmacokinetic Pharmacodynamic Modeling for the Prédiction of
In Vivo Drug Concentration Effect Relationships Application in Drug Candidate
Sélection and Lead Optimization 885
M DANHOF, Leiden University, Leiden, The Netherlands, and P H VAN DER
GRAAF, Pfizer Global Research and Development, Sandwich, UK, and
D M JONKER, Novo Nordisk A/S, Bagsvard, Denmark, and S A G VISSER,
AstraZeneca R D, Sôdertàlje, Sweden, and K P ZUIDEVELD, F. Hoffmann La Roche
Ltd, Basel, Switzerland
5.39 Computational Models to Predict Toxicity 909
N GREENE, Pfizer Global Research and Development, Groton, CT, USA
5.40 In Silico Models to Predict QT Prolongation 933
A M ARONOV, Vertex Pharmaceuticals Inc., Cambridge, MA, USA
5.41 The Adaptive In Combo Strategy 957
D A SMITH and L CUCURULL SANCHEZ, Pfizer Global Research and
Development, Sandwich, UK
Enabling Absorption, Distribution, Metabolism, Excrétion, and Toxicity Stratégies and
Technologies in Early Development
5.42 The Biopharmaceutics Classification System 971
H LENNERNÀS, Uppsala University, Uppsala, Sweden and B ABRAHAMSSON,
AstraZeneca, Môlndal, Sweden
5.43 Metabonomics 989
I D WILSON, AstraZeneca, Macclesfield, UK and J K NICHOLSON,
Impérial Collège, London, UK
5.44 Prodrug Objectives and Design 1009
B TESTA, University Hospital Centre, Lausanne, Switzerland
5.45 Drug Polymer Conjugates 1043
F M VERONESE and G PASUT, University of Padua, Padua, Italy
List of Abbreviations 1069
List of Symbols 1083
Subject Index 1091
Contents of ail Volumes
Volume 1 Global Perspective
Historical Perspective and Outlook
1.01 Reflections of a Médicinal Chemist: Formative Years through Thirty Seven Years Service in
the Pharmaceutical Industry
1.02 Drug Discovery: Historical Perspective, Current Status, and Outlook
1.03 Major Drug Introductions
The Impact of New Genomic Technologies
1.04 Epigenetics
1.05 Personalized Medicine
1.06 Gène Therapy
Sources of New Drugs
1.07 Overview of Sources of New Drugs
1.08 Natural Product Sources of Drugs: Plants, Microbes, Marine Organisms, and Animais
1.09 Traditional Medicines
1.10 Biological Macromolecules
1.11 Nutraceuticals
Animal Expérimentation
1.12 Alternatives to Animal Testing
The Rôle of Industry
1.13 The Rôle of Small or Medium Sized Enterprises in Drug Discovery
1.14 The Rôle of the Pharmaceutical Industry
1.15 The Rôle of the Venture Capitalist
1.16 Industry Académie Relationships
Drug Discovery: Révolution, Décline?
1.17 Is the Biotechnology Révolution a Myth?
1.18 The Apparent Declining Efficiency of Drug Discovery
Healthcare in the Social Context
1.19 How Much is Enough or Too Little: Assessing Healthcare Demand in Developed Countries
1.20 Health Demands in Developing Countries
1.21 Orphan Drugs and Generics
Ethical Issues
1.22 Bioethical Issues in Médicinal Chemistry and Drug Treatment
1.23 Ethical Issues and Challenges Facing the Pharmaceutical Industry
Funding and Régulation of Research
1.24 The Rôle of Government in Health Research
1.25 Postmarketing Surveillance
:ii Contents of all Volumes
Intellectual Property
1.26 Intellectual Property Rights and Patents
Subject Index
Volume 2 Strategy and Drug Research
Introduction
2.01 The Intersection of Strategy and Drug Research
2.02 An Academic Perspective
2.03 An Industry Perspective
Organizational Aspects and Strategies for Drug Discovery and Development
2.04 Project Management
2.05 The Role of the Chemical Development, Quality, and Regulatory Affairs Teams in Turning a
Potent Agent into a Registered Product
2.06 Drug Development
2.07 In House or Out Source
2.08 Pharma versus Biotech: Contracts, Collaborations, and Licensing
2.09 Managing Scientists, Leadership Strategies in Science
2.10 Innovation (Fighting against the Current)
2.11 Enabling Technologies in Drug Discovery: The Technical and Cultural Integration of the
New with the Old
2.12 How and Why to Apply the Latest Technology
2.13 How and When to Apply Absorption, Distribution, Metabolism, Excretion, and Toxicity
2.14 Peptide and Protein Drugs: Issues and Solutions
2.15 Peptidomimetic and Nonpeptide Drug Discovery: Receptor, Protease, and Signal
Transduction Therapeutic Targets
2.16 Bioisosterism
2.17 Chiral Drug Discovery and Development From Concept Stage to Market Launch
2.18 Promiscuous Ligands
Targets
2.19 Diversity versus Focus in Choosing Targets and Therapeutic Areas
2.20 G Protein Coupled Receptors
2.21 Ion Channels Voltage Gated
2.22 Ion Channels Ligand Gated
2.23 Phosphodiesterases
2.24 Protein Kinases and Protein Phosphatases in Signal Transduction Pathways
2.25 Nuclear Hormone Receptors
2.26 Nucleic Acids (Deoxyribonucleic Acid and Ribonucleic Acid)
2.27 Redox Enzymes
List of Abbreviations
List of Symbols
Subject Index
Volume 3 Drug Discovery Technologies
Target Search
3.01 Genomics
3.02 Proteomics
3.03 Pharmacogenomics
3.04 Biomarkers
3.05 Microarrays
3.06 Recombinant Deoxyribonucleic Acid and Protein Expression
3.07 Chemical Biology
Contents of all Volumes
Target Validation
3.08 Genetically Engineered Animals
3.09 Small Interfering Ribonucleic Acids
3.10 Signaling Chains
3.11 Orthogonal Ligand Receptor Pairs
Informatics and Databases
3.12 Chemoinformatics
3.13 Chemical Information Systems and Databases
3.14 Bioactivity Databases
3.15 Bioinformatics
3.16 Gene and Protein Sequence Databases
3.17 The Research Collaboratory for Structural Bioinformatics Protein Data Bank
3.18 The Cambridge Crystallographic Database
Structural Biology
3.19 Protein Production for Three Dimensional Structural Analysis
3.20 Protein Crystallization
3.21 Protein Crystallography
3.22 Bio Nuclear Magnetic Resonance
3.23 Protein Three Dimensional Structure Validation
3.24 Problems of Protein Three Dimensional Structures
3.25 Structural Genomics
Screening
3.26 Compound Storage and Management
3.27 Optical Assays in Drug Discovery
3.28 Fluorescence Screening Assays
3.29 Cell Based Screening Assays
3.30 Small Animal Test Systems for Screening
3.31 Imaging
3.32 High Throughput and High Content Screening
Chemical Technologies
3.33 Combinatorial Chemistry
3.34 Solution Phase Parallel Chemistry
3.35 Polymer Supported Reagents and Scavengers in Synthesis
3.36 Microwave Assisted Chemistry
3.37 High Throughput Purification
Lead Search and Optimization
3.38 Protein Crystallography in Drug Discovery
3.39 Nuclear Magnetic Resonance in Drug Discovery
3.40 Chemogenomics
3.41 Fragment Based Approaches
3.42 Dynamic Ligand Assembly
Subject Index
Volume 4 Computer Assisted Drug Design
Introduction to Computer Assisted Drug Design
4.01 Introduction to the Volume and Overview of Computer Assisted Drug Design in the Drug
Discovery Process
4.02 Introduction to Computer Assisted Drug Design Overview and Perspective for the Future
4.03 Quantitative Structure Activity Relationship A Historical Perspective and the Future
4.04 Structure Based Drug Design A Historical Perspective and the Future
Contents of all Volumes
Core Concepts and Methods Ligand Based
4.05 Ligand Based Approaches: Core Molecular Modeling
4.06 Pharmacophore Modeling: 1 Methods
4.07 Predictive Quantitative Structure Activity Relationship Modeling
4.08 Compound Selection Using Measures of Similarity and Dissimilarity
Core Concepts and Methods Target Structure Based
4.09 Structural, Energetic, and Dynamic Aspects of Ligand Receptor Interactions
4.10 Comparative Modeling of Drug Target Proteins
4.11 Characterization of Protein Binding Sites and Ligands Using Molecular Interaction Fields
4.12 Docking and Scoring
4.13 De Novo Design
Core Methods and Applications Ligand and Structure Based
4.14 Library Design: Ligand and Structure Based Principles for Parallel and Combinatorial
Libraries
4.15 Library Design: Reactant and Product Based Approaches
4.16 Quantum Mechanical Calculations in Medicinal Chemistry: Relevant Method or a Quantum
Leap Too Far?
Applications to Drug Discovery Lead Discovery
4.17 Chemogenomics in Drug Discovery The Druggable Genome and Target Class Properties
4.18 Lead Discovery and the Concepts of Complexity and Lead Likeness in the Evolution of
Drug Candidates
4.19 Virtual Screening
4.20 Screening Library Selection and High Throughput Screening Analysis/Triage
Applications to Drug Discovery Ligand Based Lead Optimization
4.21 Pharmacophore Modeling: 2 Applications
4.22 Topological Quantitative Structure Activity Relationship Applications: Structure
Information Representation in Drug Discovery
4.23 Three Dimensional Quantitative Structure Activity Relationship: The State of the Art
Applications to Drug Discovery Target Structure Based
4.24 Structure Based Drug Design The Use of Protein Structure in Drug Discovery
4.25 Applications of Molecular Dynamics Simulations in Drug Design
4.26 Seven Transmembrane G Protein Coupled Receptors: Insights for Drug Design from
Structure and Modeling
4.27 Ion Channels: Insights for Drug Design from Structure and Modeling
4.28 Nuclear Hormone Receptors: Insights for Drug Design from Structure and Modeling
4.29 Enzymes: Insights for Drug Design from Structure
New Directions
4.30 Multiobjective/Multicriteria Optimization and Decision Support in Drug Discovery
4.31 New Applications for Structure Based Drug Design
4.32 Biological Fingerprints
Subject Index
Volume 5 ADME Tox Approaches
Introduction
5.01 The Why and How of Absorption, Distribution, Metabolism, Excretion, and Toxicity
Research
Biological and In Vivo Aspects of Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.02 Clinical Pharmacokinetic Criteria for Drug Research
5.03 In Vivo Absorption, Distribution, Metabolism, and Excretion Studies in Discovery and
Development
5.04 The Biology and Function of Transporters
5.05 Principles of Drug Metabolism 1: Redox Reactions
Contents of all Volumes
5.06 Principles of Drug Metabolism 2: Hydrolysis and Conjugation Reactions
5.07 Principles of Drug Metabolism 3: Enzymes and Tissues
5.08 Mechanisms of Toxification and Detoxification which Challenge Drug Candidates and
Drugs
5.09 Immunotoxicology
Biological In Vitro Tools in Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.10 In Vitro Studies of Drug Metabolism
5.11 Passive Permeability and Active Transport Models for the Prediction of Oral Absorption
5.12 Biological In Vitro Models for Absorption by Nonoral Routes
5.13 In Vitro Models for Examining and Predicting Brain Uptake of Drugs
5.14 In Vitro Models for Plasma Binding and Tissue Storage
5.15 Progress in Bioanalytics and Automation Robotics for Absorption, Distribution,
Metabolism, and Excretion Screening
Physicochemical tools in Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.16 Ionization Constants and Ionization Profiles
5.17 Dissolution and Solubility
5.18 Lipophilicity, Polarity, and Hydrophobicity
5.19 Artificial Membrane Technologies to Assess Transfer and Permeation of Drugs in
Drug Discovery
5.20 Chemical Stability
5.21 Solid State Physicochemistry
In Silico Tools in Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.22 Use of Molecular Descriptors for Absorption, Distribution, Metabolism, and Excretion
Predictions
5.23 Electrotopological State Indices to Assess Molecular and Absorption, Distribution, Metabolism,
Excretion, and Toxicity Properties
5.24 Molecular Fields to Assess Recognition Forces and Property Spaces
5.25 In Silico Prediction of Ionization
5.26 In Silico Predictions of Solubility
5.27 Rule Based Systems to Predict Lipophilicity
5.28 In Silico Models to Predict Oral Absorption
5.29 In Silico Prediction of Oral Bioavailability
5.30 In Silico Models to Predict Passage through the Skin and Other Barriers
5.31 In Silico Models to Predict Brain Uptake
5.32 In Silico Models for Interactions with Transporters
5.33 Comprehensive Expert Systems to Predict Drug Metabolism
5.34 Molecular Modeling and Quantitative Structure Activity Relationship of Substrates and
Inhibitors of Drug Metabolism Enzymes
5.35 Modeling and Simulation of Pharmacokinetic Aspects of Cytochrome P450 Based Metabolic
Drug Drug Interactions
5.36 In Silico Prediction of Plasma and Tissue Protein Binding
5.37 Physiologically Based Models to Predict Human Pharmacokinetic Parameters
5.38 Mechanism Based Pharmacokinetic Pharmacodynamic Modeling for the Prediction of
In Vivo Drug Concentration Effect Relationships Application in Drug Candidate
Selection and Lead Optimization
5.39 Computational Models to Predict Toxicity
5.40 In Silico Models to Predict QT Prolongation
5.41 The Adaptive In Combo Strategy
Enabling Absorption, Distribution, Metabolism, Excretion, and Toxicity Strategies and Technologies in
Early Development
5.42 The Biopharmaceutics Classification System
5.43 Metabonomics
/i Contents of all Volumes
5.44 Prodrug Objectives and Design
5.45 Drug Polymer Conjugates
List of Abbreviations
List of Symbols
Subject Index
Volume 6 Therapeutic Areas I: Central Nervous System, Pain, Metabolic Syndrome, Urology,
Gastrointestinal and Cardiovascular
Central Nervous System
6.01 Central Nervous System Drugs Overview
6.02 Schizophrenia
6.03 Affective Disorders: Depression and Bipolar Disorders
6.04 Anxiety
6.05 Attention Deficit Hyperactivity Disorder
6.06 Sleep
6.07 Addiction
6.08 Neurodegeneration
6.09 Neuromuscular/Autoimmune Disorders
6.10 Stroke/Traumatic Brain and Spinal Cord Injuries
6.11 Epilepsy
6.12 Ophthalmic Agents
Pain
6.13 Pain Overview
6.14 Acute and Neuropathic Pain
6.15 Local and Adjunct Anesthesia
6.16 Migraine
Obesity/Metabolic Disorders/Syndrome X
6.17 Obesity/Metabolic Syndrome Overview
6.18 Obesity/Disorders of Energy
6.19 Diabetes/Syndrome X
6.20 Atherosclerosis/Lipoprotein/Cholesterol Metabolism
6.21 Bone, Mineral, Connective Tissue Metabolism
6.22 Hormone Replacement
Urogenital
6.23 Urogenital Diseases/Disorders, Sexual Dysfunction and Reproductive
Medicine: Overview
6.24 Incontinence (Benign Prostatic Hyperplasia/Prostate Dysfunction)
6.25 Renal Dysfunction in Hypertension and Obesity
Gastrointestinal
6.26 Gastrointestinal Overview
6.27 Gastric and Mucosal Ulceration
6.28 Inflammatory Bowel Disease
6.29 Irritable Bowel Syndrome
6.30 Emesis/Prokinetic Agents
Cardiovascular
6.31 Cardiovascular Overview
6.32 Hypertension
6.33 Antiarrhythmics
6.34 Thrombolytics
Subject Index
Contents of all Volumes
Volume 7 Therapeutic Areas II: Cancer, Infectious Diseases, Inflammation Immunology and
Dermatology
And Cancer
7.01 Cancer Biology
7.02 Principles of Chemotherapy and Pharmacology
7.03 Antimetabolites
7.04 Microtubule Targeting Agents
7.05 Deoxyribonucleic Acid Topoisomerase Inhibitors
7.06 Alkylating and Platinum Antitumor Compounds
7.07 Endocrine Modulating Agents
7.08 Kinase Inhibitors for Cancer
7.09 Recent Development in Novel Anticancer Therapies
Anti Viral
7.10 Viruses and Viral Diseases
7.11 Deoxyribonucleic Acid Viruses: Antivirals for Herpesviruses and Hepatitis B Virus
7.12 Ribonucleic Acid Viruses: Antivirals for Human Immunodeficiency Virus
7.13 Ribonucleic Acid Viruses: Antivirals for Influenza A and B, Hepatitis C Virus, and
Respiratory Syncytial Virus
Anti Fungal
7.14 Fungi and Fungal Disease
7.15 Major Antifungal Drugs
Anti Bacterials
7.16 Bacteriology, Major Pathogens, and Diseases
7.17 P Lactam Antibiotics
7.18 Macrolide Antibiotics
7.19 Quinolone Antibacterial Agents
7.20 The Antibiotic and Nonantibiotic Tetracyclines
7.21 Aminoglycosides Antibiotics
7.22 Anti Gram Positive Agents of Natural Product Origins
7.23 Oxazolidinone Antibiotics
7.24 Antimycobacterium Agents
7.25 Impact of Genomics Emerging Targets for Antibacterial Therapy
Drugs for Parasitic Infections
7.26 Overview of Parasitic Infections
7.27 Advances in the Discovery of New Antimalarials
7.28 Antiprotozoal Agents (African Trypanosomiasis, Chagas Disease, and Leishmaniasis)
I and I Diseases
7.29 Recent Advances in Inflammatory and Immunological Diseases: Focus on Arthritis Therapy
7.30 Asthma and Chronic Obstructive Pulmonary Disease
7.31 Treatment of Transplantation Rejection and Multiple Sclerosis
Dermatology
7.32 Overview of Dermatological Diseases
7.33 Advances in the Discovery of Acne and Rosacea Treatments
7.34 New Treatments for Psoriasis and Atopic Dermatitis
Subject Index
Volume 8 Case Histories and Cumulative Subject Index
Personal Essays
8.01 Introduction
8.02 Reflections on Medicinal Chemistry Since the 1950s
AW Contents of all Volumes
8.03 Medicinal Chemistry as a Scientific Discipline in Industry and Academia: Some Personal
Reflections
8.04 Some Aspects of Medicinal Chemistry at the Schering Plough Research Institute
Case Histories
8.05 Viread
8.06 Hepsera
8.07 Ezetimibe
8.08 Tamoxifen
8.09 Raloxifene
8.10 Duloxetine
8.11 Carvedilol
8.12 Modafinil, A Unique Wake Promoting Drug: A Serendipitous Discovery in Search of a
Mechanism of Action
8.13 Zyvox
8.14 Copaxone
8.15 Ritonavir and Lopinavir/Ritonavir
8.16 Fosamax
8.17 Omeprazole
8.18 Calcium Channel oc2 5 Ligands: Gabapentin and Pregabalin
Cumulative Subject Index
|
| adam_txt |
Contents
Contents of ail Volumes xi
Préface xix
Préface to Volume 5 xxi
Editors in Chief xxiii
Editors of Volume 5 xxiv
Contributors to Volume 5 xxv
Introduction
5.01 The Why and How of Absorption, Distribution, Metabolism, Excrétion, and Toxicity
Research 1
H VAN DE WATERBEEMD, AstraZeneca, Macclesfield, UK and B TESTA,
University Hospital Centre, Lausanne, Switzerland
Biological and In Vivo Aspects of Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.02 Clinical Pharmacokinetic Criteria for Drug Research 11
J P TILLEMENT, Faculty of Medicine of Paris XII, Paris, France and
D TREMBLAY, AFSSAPS Consultant (French Agency for DrugsJ, France
5.03 In Vivo Absorption, Distribution, Metabolism, and Excrétion Studies in Discovery
and Development 31
T LAVÉ and C FUNK, F. Hoffmann La Roche Ltd, Basel, Switzerland
5.04 The Biology and Function of Transporters 51
J M SCHERRMANN, University of Paris, Paris, France
5.05 Principles of Drug Metabolism 1: Redox Reactions 87
W F TRAGER, University of Washington, Seattle, WA, USA
5.06 Principles of Drug Metabolism 2: Hydrolysis and Conjugation Reactions 133
B TESTA, University Hospital Centre, Lausanne, Switzerland
5.07 Principles of Drug Metabolism 3: Enzymes and Tissues 167
R A TOTAH and A E RETTIE, University of Washington, Seattle, WA, USA
Contents
5.08 Mechanisms of Toxification and Detoxification which Challenge Drug Candidates and
Drugs 193
B OESCH BARTLOMOWICZ and F OESCH, University of Mainz, Muinz, Gcrmuny
5.09 Immunotoxicology 215
C ESSER, Institut fur Unnveltmedizinische Forschung, Heinrich Heine University,
Dusse/dorf, Gernumy
Biological In Vitro Tools in Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.10 In Vitro Studies of Drug Metabolism 231
Y PARMENTIER, M J BOSSANT. M BERTRAND, and B WALTHER,
Technologie Semer, Orléans, France
5.11 Passive Permeability and Active Transport Models for the Prédiction of Oral
Absorption 259
P ARTURSSON. S NEUHOFF, and P MATSSON, Uppsala University, Uppsala,
Sweden and S TA VELIN, Umeâ University, Umeâ, Sweden
5.12 Biological In Vitro Models for Absorption by Nonoral Routes 279
P COLOMBO. S CAGNANI, F SONVICO, and P SANTI, University of Parma,
Parma, Italy, and P RUSSO, University ofSalerno, Fisciano, Italy, and G COLOMBO,
Universitv of Ferrara, Ferrara, Italv
5.13 In Vitro Models for Examining and Predicting Brain Uptake of Drugs 301
N J ABBOTT, King's Collège London, London, UK
5.14 In Vitro Models for Plasma Binding and Tissue Storage 321
P BARTON, R P AUSTIN, and R E FESSEY, AstraZeneca R D Charnwood,
Loughborough, UK
5.15 Progress in Bioanalytics and Automation Robotics for Absorption, Distribution,
Metabolism, and Excrétion Screening 341
J WANG, Novartis Institutes for Biomédical Research, Cambridge, MA, USA and
B FALLER, Novartis Institutes for Biomédical Research, Basel, Switzerland
Physicochemical tools in Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.16 Ionization Constants and lonization Profiles 357
J E A COMER, Sirius Analytical Instruments Ltd, Forest Row, UK
5.17 Dissolution and Solubility 399
A AVDEEF, D VOLOBOY, and A FOREMAN, pION Inc., Woburn, MA, USA
5.18 Lipophilicity, Polarity, and Hydrophobicity 425
G CARON and G ERMONDI, University of Torino, Torino, Italy, and
R A SCHERRER, BIOpK, White Bear Lake, MN, USA
5.19 Artificial Membrane Technologies to Assess Transfer and Permeation of Drugs
in Drug Discovery 453
K SUGANO, Pfizer Inc., A khi, Japon
5.20 Chemical Stability 489
E H KERNS and L DI, Wyeth Research, Princeton, NJ, USA
5.21 Solid State Physicochemistry 509
D GIRON, Novartis Pharma AG, Basel, Switzerland
Contents
In Silico Tools in Absorption, Distribution, Metabolism, Excrétion, and Toxicity
5.22 Use of Molecular Descriptors for Absorption, Distribution, Metabolism, and
Excrétion Prédictions 531
S WINIWARTER, M RIDDERSTRÔM, and A L UNGELL. AstraZeneca R D
Molndal, Molndal, Sweden, and T B ANDERSSON, lnstitulc of Environmental
Medicine, Kurolinska Institutet, Stockholm, Swcden, and I ZAMORA, Univcr.sital
Pompcu Fahra, Barcclona, Spain
5.23 Electrotopological State Indices to Assess Molecular and Absorption, Distribution,
Metabolism, Excrétion, and Toxicity Properties 555
L H HALL, Easlcrn Nazarene Collège, Quincv, MA, USA and Hall Associates
Consulting, Quincv, MA, USA, and L B KIER. Virginia Commonwealth Universilv,
Richmond, VA, USA, and L M HALL, Hall Associates Consulting, Quincv, MA. USA
5.24 Molecular Fields to Assess Récognition Forces and Property Spaces 577
G VISTOLI and A PEDRETTI. Institute of Médicinal Chemistrv, University of Milan,
Milan, Italv
5.25 In Silico Prédiction of Ionization 603
R FRACZKIEWICZ, Simulations Plus, Inc., Lancaster, C'A. USA
5.26 In Silico Prédictions of Solubility 627
J TASKINEN, University of Helsinki. Helsinki. Fin/and and U NORINDLR,
AstraZeneca R D. Sodertdlje, Sweden
5.27 Rule Based Systems to Predict Lipophilicity 649
I V TETKO, Institute of liioorganic and l'elrochemistrv, Kiev, Ukraine and
D J LIVINGSTONE, ChemQuest, Sandown, Isle of Wight. UK
5.28 In Silico Models to Predict Oral Absorption 669
H VAN DE WATERBEEMD, AstraZeneca, Macclesfield, UK
5.29 In Silico Prédiction of Oral Bioavailability 699
J V TURNER, The University of Queenslund, Brisbane, QUI, Australia and
S AGATONOVIC KUSTRIN, The University of Western Australia, Penh,
IVA, Australia
5.30 In Silico Models to Predict Passage through the Skin and Other Barriers 725
M T D CRONIN and M HEWITT, Liverpool John Moores University, Liverpool, UK
5.31 In Silico Models to Predict Brain Uptake 745
M H ABRAHAM, University Collège London, London, TA'and A HERSEY. (iSK
Medicines Research Centre, Stevenage, i'K
5.32 In Silico Models for Interactions with Transporte™ 767
M WIESE. University of Bonn. Bonn. (îermany and I K. PA.IEVA. Bulgarian Academv
of Sciences. Sofia. Bulgaria
5.33 Comprehensive Expert Systems to Predict Drug Metabolism 795
D R HAWKINS. Huntingdon Life Sciences. Alconhury. UK
5.34 Molecular Modeling and Quantitative Structure Activity Relationship of Substrates
and Inhibitors of Drug Metabolism Enzymes 809
M J DE GROOT. Pfizer Global Research and Development, Sandwich, UK. and
D F V LEWIS. University of Surrey. Guildford, UK, and S MODI. GlaxoSmithKline
Research and Development, Stevenage, UK
Contents
5.35 Modeling and Simulation of Pharmacokinetic Aspects of Cytochrome P450 Based
Metabolic Drug Drug Interactions 827
M DICKINS, Pfizer Global Research and Development, Sandwich, UK, and
A GALETIN, University of Manchester, Manchester, UK, and N PROCTOR, Simcyp,
Sheffield, UK
5.36 In Silico Prédiction of Plasma and Tissue Protein Binding 847
G COLMENAREJO, GlaxoSmithKline, Madrid, Spain
5.37 Physiologically Based Models to Predict Human Pharmacokinetic Parameters 867
T LAVÉ, N PARROTT, and H JONES, F. Hoffmann La Roche Ltd,
Basel, Switzerland
5.38 Mechanism Based Pharmacokinetic Pharmacodynamic Modeling for the Prédiction of
In Vivo Drug Concentration Effect Relationships Application in Drug Candidate
Sélection and Lead Optimization 885
M DANHOF, Leiden University, Leiden, The Netherlands, and P H VAN DER
GRAAF, Pfizer Global Research and Development, Sandwich, UK, and
D M JONKER, Novo Nordisk A/S, Bagsvard, Denmark, and S A G VISSER,
AstraZeneca R D, Sôdertàlje, Sweden, and K P ZUIDEVELD, F. Hoffmann La Roche
Ltd, Basel, Switzerland
5.39 Computational Models to Predict Toxicity 909
N GREENE, Pfizer Global Research and Development, Groton, CT, USA
5.40 In Silico Models to Predict QT Prolongation 933
A M ARONOV, Vertex Pharmaceuticals Inc., Cambridge, MA, USA
5.41 The Adaptive In Combo Strategy 957
D A SMITH and L CUCURULL SANCHEZ, Pfizer Global Research and
Development, Sandwich, UK
Enabling Absorption, Distribution, Metabolism, Excrétion, and Toxicity Stratégies and
Technologies in Early Development
5.42 The Biopharmaceutics Classification System 971
H LENNERNÀS, Uppsala University, Uppsala, Sweden and B ABRAHAMSSON,
AstraZeneca, Môlndal, Sweden
5.43 Metabonomics 989
I D WILSON, AstraZeneca, Macclesfield, UK and J K NICHOLSON,
Impérial Collège, London, UK
5.44 Prodrug Objectives and Design 1009
B TESTA, University Hospital Centre, Lausanne, Switzerland
5.45 Drug Polymer Conjugates 1043
F M VERONESE and G PASUT, University of Padua, Padua, Italy
List of Abbreviations 1069
List of Symbols 1083
Subject Index 1091
Contents of ail Volumes
Volume 1 Global Perspective
Historical Perspective and Outlook
1.01 Reflections of a Médicinal Chemist: Formative Years through Thirty Seven Years Service in
the Pharmaceutical Industry
1.02 Drug Discovery: Historical Perspective, Current Status, and Outlook
1.03 Major Drug Introductions
The Impact of New Genomic Technologies
1.04 Epigenetics
1.05 Personalized Medicine
1.06 Gène Therapy
Sources of New Drugs
1.07 Overview of Sources of New Drugs
1.08 Natural Product Sources of Drugs: Plants, Microbes, Marine Organisms, and Animais
1.09 Traditional Medicines
1.10 Biological Macromolecules
1.11 Nutraceuticals
Animal Expérimentation
1.12 Alternatives to Animal Testing
The Rôle of Industry
1.13 The Rôle of Small or Medium Sized Enterprises in Drug Discovery
1.14 The Rôle of the Pharmaceutical Industry
1.15 The Rôle of the Venture Capitalist
1.16 Industry Académie Relationships
Drug Discovery: Révolution, Décline?
1.17 Is the Biotechnology Révolution a Myth?
1.18 The Apparent Declining Efficiency of Drug Discovery
Healthcare in the Social Context
1.19 How Much is Enough or Too Little: Assessing Healthcare Demand in Developed Countries
1.20 Health Demands in Developing Countries
1.21 Orphan Drugs and Generics
Ethical Issues
1.22 Bioethical Issues in Médicinal Chemistry and Drug Treatment
1.23 Ethical Issues and Challenges Facing the Pharmaceutical Industry
Funding and Régulation of Research
1.24 The Rôle of Government in Health Research
1.25 Postmarketing Surveillance
:ii Contents of all Volumes
Intellectual Property
1.26 Intellectual Property Rights and Patents
Subject Index
Volume 2 Strategy and Drug Research
Introduction
2.01 The Intersection of Strategy and Drug Research
2.02 An Academic Perspective
2.03 An Industry Perspective
Organizational Aspects and Strategies for Drug Discovery and Development
2.04 Project Management
2.05 The Role of the Chemical Development, Quality, and Regulatory Affairs Teams in Turning a
Potent Agent into a Registered Product
2.06 Drug Development
2.07 In House or Out Source
2.08 Pharma versus Biotech: Contracts, Collaborations, and Licensing
2.09 Managing Scientists, Leadership Strategies in Science
2.10 Innovation (Fighting against the Current)
2.11 Enabling Technologies in Drug Discovery: The Technical and Cultural Integration of the
New with the Old
2.12 How and Why to Apply the Latest Technology
2.13 How and When to Apply Absorption, Distribution, Metabolism, Excretion, and Toxicity
2.14 Peptide and Protein Drugs: Issues and Solutions
2.15 Peptidomimetic and Nonpeptide Drug Discovery: Receptor, Protease, and Signal
Transduction Therapeutic Targets
2.16 Bioisosterism
2.17 Chiral Drug Discovery and Development From Concept Stage to Market Launch
2.18 Promiscuous Ligands
Targets
2.19 Diversity versus Focus in Choosing Targets and Therapeutic Areas
2.20 G Protein Coupled Receptors
2.21 Ion Channels Voltage Gated
2.22 Ion Channels Ligand Gated
2.23 Phosphodiesterases
2.24 Protein Kinases and Protein Phosphatases in Signal Transduction Pathways
2.25 Nuclear Hormone Receptors
2.26 Nucleic Acids (Deoxyribonucleic Acid and Ribonucleic Acid)
2.27 Redox Enzymes
List of Abbreviations
List of Symbols
Subject Index
Volume 3 Drug Discovery Technologies
Target Search
3.01 Genomics
3.02 Proteomics
3.03 Pharmacogenomics
3.04 Biomarkers
3.05 Microarrays
3.06 Recombinant Deoxyribonucleic Acid and Protein Expression
3.07 Chemical Biology
Contents of all Volumes
Target Validation
3.08 Genetically Engineered Animals
3.09 Small Interfering Ribonucleic Acids
3.10 Signaling Chains
3.11 Orthogonal Ligand Receptor Pairs
Informatics and Databases
3.12 Chemoinformatics
3.13 Chemical Information Systems and Databases
3.14 Bioactivity Databases
3.15 Bioinformatics
3.16 Gene and Protein Sequence Databases
3.17 The Research Collaboratory for Structural Bioinformatics Protein Data Bank
3.18 The Cambridge Crystallographic Database
Structural Biology
3.19 Protein Production for Three Dimensional Structural Analysis
3.20 Protein Crystallization
3.21 Protein Crystallography
3.22 Bio Nuclear Magnetic Resonance
3.23 Protein Three Dimensional Structure Validation
3.24 Problems of Protein Three Dimensional Structures
3.25 Structural Genomics
Screening
3.26 Compound Storage and Management
3.27 Optical Assays in Drug Discovery
3.28 Fluorescence Screening Assays
3.29 Cell Based Screening Assays
3.30 Small Animal Test Systems for Screening
3.31 Imaging
3.32 High Throughput and High Content Screening
Chemical Technologies
3.33 Combinatorial Chemistry
3.34 Solution Phase Parallel Chemistry
3.35 Polymer Supported Reagents and Scavengers in Synthesis
3.36 Microwave Assisted Chemistry
3.37 High Throughput Purification
Lead Search and Optimization
3.38 Protein Crystallography in Drug Discovery
3.39 Nuclear Magnetic Resonance in Drug Discovery
3.40 Chemogenomics
3.41 Fragment Based Approaches
3.42 Dynamic Ligand Assembly
Subject Index
Volume 4 Computer Assisted Drug Design
Introduction to Computer Assisted Drug Design
4.01 Introduction to the Volume and Overview of Computer Assisted Drug Design in the Drug
Discovery Process
4.02 Introduction to Computer Assisted Drug Design Overview and Perspective for the Future
4.03 Quantitative Structure Activity Relationship A Historical Perspective and the Future
4.04 Structure Based Drug Design A Historical Perspective and the Future
' Contents of all Volumes
Core Concepts and Methods Ligand Based
4.05 Ligand Based Approaches: Core Molecular Modeling
4.06 Pharmacophore Modeling: 1 Methods
4.07 Predictive Quantitative Structure Activity Relationship Modeling
4.08 Compound Selection Using Measures of Similarity and Dissimilarity
Core Concepts and Methods Target Structure Based
4.09 Structural, Energetic, and Dynamic Aspects of Ligand Receptor Interactions
4.10 Comparative Modeling of Drug Target Proteins
4.11 Characterization of Protein Binding Sites and Ligands Using Molecular Interaction Fields
4.12 Docking and Scoring
4.13 De Novo Design
Core Methods and Applications Ligand and Structure Based
4.14 Library Design: Ligand and Structure Based Principles for Parallel and Combinatorial
Libraries
4.15 Library Design: Reactant and Product Based Approaches
4.16 Quantum Mechanical Calculations in Medicinal Chemistry: Relevant Method or a Quantum
Leap Too Far?
Applications to Drug Discovery Lead Discovery
4.17 Chemogenomics in Drug Discovery The Druggable Genome and Target Class Properties
4.18 Lead Discovery and the Concepts of Complexity and Lead Likeness in the Evolution of
Drug Candidates
4.19 Virtual Screening
4.20 Screening Library Selection and High Throughput Screening Analysis/Triage
Applications to Drug Discovery Ligand Based Lead Optimization
4.21 Pharmacophore Modeling: 2 Applications
4.22 Topological Quantitative Structure Activity Relationship Applications: Structure
Information Representation in Drug Discovery
4.23 Three Dimensional Quantitative Structure Activity Relationship: The State of the Art
Applications to Drug Discovery Target Structure Based
4.24 Structure Based Drug Design The Use of Protein Structure in Drug Discovery
4.25 Applications of Molecular Dynamics Simulations in Drug Design
4.26 Seven Transmembrane G Protein Coupled Receptors: Insights for Drug Design from
Structure and Modeling
4.27 Ion Channels: Insights for Drug Design from Structure and Modeling
4.28 Nuclear Hormone Receptors: Insights for Drug Design from Structure and Modeling
4.29 Enzymes: Insights for Drug Design from Structure
New Directions
4.30 Multiobjective/Multicriteria Optimization and Decision Support in Drug Discovery
4.31 New Applications for Structure Based Drug Design
4.32 Biological Fingerprints
Subject Index
Volume 5 ADME Tox Approaches
Introduction
5.01 The Why and How of Absorption, Distribution, Metabolism, Excretion, and Toxicity
Research
Biological and In Vivo Aspects of Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.02 Clinical Pharmacokinetic Criteria for Drug Research
5.03 In Vivo Absorption, Distribution, Metabolism, and Excretion Studies in Discovery and
Development
5.04 The Biology and Function of Transporters
5.05 Principles of Drug Metabolism 1: Redox Reactions
Contents of all Volumes
5.06 Principles of Drug Metabolism 2: Hydrolysis and Conjugation Reactions
5.07 Principles of Drug Metabolism 3: Enzymes and Tissues
5.08 Mechanisms of Toxification and Detoxification which Challenge Drug Candidates and
Drugs
5.09 Immunotoxicology
Biological In Vitro Tools in Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.10 In Vitro Studies of Drug Metabolism
5.11 Passive Permeability and Active Transport Models for the Prediction of Oral Absorption
5.12 Biological In Vitro Models for Absorption by Nonoral Routes
5.13 In Vitro Models for Examining and Predicting Brain Uptake of Drugs
5.14 In Vitro Models for Plasma Binding and Tissue Storage
5.15 Progress in Bioanalytics and Automation Robotics for Absorption, Distribution,
Metabolism, and Excretion Screening
Physicochemical tools in Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.16 Ionization Constants and Ionization Profiles
5.17 Dissolution and Solubility
5.18 Lipophilicity, Polarity, and Hydrophobicity
5.19 Artificial Membrane Technologies to Assess Transfer and Permeation of Drugs in
Drug Discovery
5.20 Chemical Stability
5.21 Solid State Physicochemistry
In Silico Tools in Absorption, Distribution, Metabolism, Excretion, and Toxicity
5.22 Use of Molecular Descriptors for Absorption, Distribution, Metabolism, and Excretion
Predictions
5.23 Electrotopological State Indices to Assess Molecular and Absorption, Distribution, Metabolism,
Excretion, and Toxicity Properties
5.24 Molecular Fields to Assess Recognition Forces and Property Spaces
5.25 In Silico Prediction of Ionization
5.26 In Silico Predictions of Solubility
5.27 Rule Based Systems to Predict Lipophilicity
5.28 In Silico Models to Predict Oral Absorption
5.29 In Silico Prediction of Oral Bioavailability
5.30 In Silico Models to Predict Passage through the Skin and Other Barriers
5.31 In Silico Models to Predict Brain Uptake
5.32 In Silico Models for Interactions with Transporters
5.33 Comprehensive Expert Systems to Predict Drug Metabolism
5.34 Molecular Modeling and Quantitative Structure Activity Relationship of Substrates and
Inhibitors of Drug Metabolism Enzymes
5.35 Modeling and Simulation of Pharmacokinetic Aspects of Cytochrome P450 Based Metabolic
Drug Drug Interactions
5.36 In Silico Prediction of Plasma and Tissue Protein Binding
5.37 Physiologically Based Models to Predict Human Pharmacokinetic Parameters
5.38 Mechanism Based Pharmacokinetic Pharmacodynamic Modeling for the Prediction of
In Vivo Drug Concentration Effect Relationships Application in Drug Candidate
Selection and Lead Optimization
5.39 Computational Models to Predict Toxicity
5.40 In Silico Models to Predict QT Prolongation
5.41 The Adaptive In Combo Strategy
Enabling Absorption, Distribution, Metabolism, Excretion, and Toxicity Strategies and Technologies in
Early Development
5.42 The Biopharmaceutics Classification System
5.43 Metabonomics
/i Contents of all Volumes
5.44 Prodrug Objectives and Design
5.45 Drug Polymer Conjugates
List of Abbreviations
List of Symbols
Subject Index
Volume 6 Therapeutic Areas I: Central Nervous System, Pain, Metabolic Syndrome, Urology,
Gastrointestinal and Cardiovascular
Central Nervous System
6.01 Central Nervous System Drugs Overview
6.02 Schizophrenia
6.03 Affective Disorders: Depression and Bipolar Disorders
6.04 Anxiety
6.05 Attention Deficit Hyperactivity Disorder
6.06 Sleep
6.07 Addiction
6.08 Neurodegeneration
6.09 Neuromuscular/Autoimmune Disorders
6.10 Stroke/Traumatic Brain and Spinal Cord Injuries
6.11 Epilepsy
6.12 Ophthalmic Agents
Pain
6.13 Pain Overview
6.14 Acute and Neuropathic Pain
6.15 Local and Adjunct Anesthesia
6.16 Migraine
Obesity/Metabolic Disorders/Syndrome X
6.17 Obesity/Metabolic Syndrome Overview
6.18 Obesity/Disorders of Energy
6.19 Diabetes/Syndrome X
6.20 Atherosclerosis/Lipoprotein/Cholesterol Metabolism
6.21 Bone, Mineral, Connective Tissue Metabolism
6.22 Hormone Replacement
Urogenital
6.23 Urogenital Diseases/Disorders, Sexual Dysfunction and Reproductive
Medicine: Overview
6.24 Incontinence (Benign Prostatic Hyperplasia/Prostate Dysfunction)
6.25 Renal Dysfunction in Hypertension and Obesity
Gastrointestinal
6.26 Gastrointestinal Overview
6.27 Gastric and Mucosal Ulceration
6.28 Inflammatory Bowel Disease
6.29 Irritable Bowel Syndrome
6.30 Emesis/Prokinetic Agents
Cardiovascular
6.31 Cardiovascular Overview
6.32 Hypertension
6.33 Antiarrhythmics
6.34 Thrombolytics
Subject Index
Contents of all Volumes
Volume 7 Therapeutic Areas II: Cancer, Infectious Diseases, Inflammation Immunology and
Dermatology
And Cancer
7.01 Cancer Biology
7.02 Principles of Chemotherapy and Pharmacology
7.03 Antimetabolites
7.04 Microtubule Targeting Agents
7.05 Deoxyribonucleic Acid Topoisomerase Inhibitors
7.06 Alkylating and Platinum Antitumor Compounds
7.07 Endocrine Modulating Agents
7.08 Kinase Inhibitors for Cancer
7.09 Recent Development in Novel Anticancer Therapies
Anti Viral
7.10 Viruses and Viral Diseases
7.11 Deoxyribonucleic Acid Viruses: Antivirals for Herpesviruses and Hepatitis B Virus
7.12 Ribonucleic Acid Viruses: Antivirals for Human Immunodeficiency Virus
7.13 Ribonucleic Acid Viruses: Antivirals for Influenza A and B, Hepatitis C Virus, and
Respiratory Syncytial Virus
Anti Fungal
7.14 Fungi and Fungal Disease
7.15 Major Antifungal Drugs
Anti Bacterials
7.16 Bacteriology, Major Pathogens, and Diseases
7.17 P Lactam Antibiotics
7.18 Macrolide Antibiotics
7.19 Quinolone Antibacterial Agents
7.20 The Antibiotic and Nonantibiotic Tetracyclines
7.21 Aminoglycosides Antibiotics
7.22 Anti Gram Positive Agents of Natural Product Origins
7.23 Oxazolidinone Antibiotics
7.24 Antimycobacterium Agents
7.25 Impact of Genomics Emerging Targets for Antibacterial Therapy
Drugs for Parasitic Infections
7.26 Overview of Parasitic Infections
7.27 Advances in the Discovery of New Antimalarials
7.28 Antiprotozoal Agents (African Trypanosomiasis, Chagas Disease, and Leishmaniasis)
I and I Diseases
7.29 Recent Advances in Inflammatory and Immunological Diseases: Focus on Arthritis Therapy
7.30 Asthma and Chronic Obstructive Pulmonary Disease
7.31 Treatment of Transplantation Rejection and Multiple Sclerosis
Dermatology
7.32 Overview of Dermatological Diseases
7.33 Advances in the Discovery of Acne and Rosacea Treatments
7.34 New Treatments for Psoriasis and Atopic Dermatitis
Subject Index
Volume 8 Case Histories and Cumulative Subject Index
Personal Essays
8.01 Introduction
8.02 Reflections on Medicinal Chemistry Since the 1950s
AW Contents of all Volumes
8.03 Medicinal Chemistry as a Scientific Discipline in Industry and Academia: Some Personal
Reflections
8.04 Some Aspects of Medicinal Chemistry at the Schering Plough Research Institute
Case Histories
8.05 Viread
8.06 Hepsera
8.07 Ezetimibe
8.08 Tamoxifen
8.09 Raloxifene
8.10 Duloxetine
8.11 Carvedilol
8.12 Modafinil, A Unique Wake Promoting Drug: A Serendipitous Discovery in Search of a
Mechanism of Action
8.13 Zyvox
8.14 Copaxone
8.15 Ritonavir and Lopinavir/Ritonavir
8.16 Fosamax
8.17 Omeprazole
8.18 Calcium Channel oc2 5 Ligands: Gabapentin and Pregabalin
Cumulative Subject Index |
| any_adam_object | 1 |
| any_adam_object_boolean | 1 |
| building | Verbundindex |
| bvnumber | BV022938902 |
| collection | ZDB-33-SDR |
| ctrlnum | (OCoLC)633277042 (DE-599)BVBBV022938902 |
| edition | 1. ed. |
| format | Electronic eBook |
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| id | DE-604.BV022938902 |
| illustrated | Not Illustrated |
| index_date | 2024-07-02T18:57:34Z |
| indexdate | 2024-07-09T21:08:06Z |
| institution | BVB |
| isbn | 0080445187 9780080445182 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-016143600 |
| oclc_num | 633277042 |
| open_access_boolean | |
| owner | DE-355 DE-BY-UBR |
| owner_facet | DE-355 DE-BY-UBR |
| physical | 1 Online-Ressource |
| psigel | ZDB-33-SDR |
| publishDate | 2007 |
| publishDateSearch | 2007 |
| publishDateSort | 2007 |
| publisher | Elsevier |
| record_format | marc |
| spelling | Comprehensive medicinal chemistry II 5 ADME-Tox approaches ed.-in-chief: John B. Taylor... 1. ed. Amsterdam [u.a.] Elsevier 2007 1 Online-Ressource txt rdacontent c rdamedia cr rdacarrier Taylor, John B. Sonstige oth (DE-604)BV022938881 5 http://www.sciencedirect.com/science/referenceworks/9780080450445 Verlag Volltext HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016143600&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Comprehensive medicinal chemistry II |
| title | Comprehensive medicinal chemistry II |
| title_auth | Comprehensive medicinal chemistry II |
| title_exact_search | Comprehensive medicinal chemistry II |
| title_exact_search_txtP | Comprehensive medicinal chemistry II |
| title_full | Comprehensive medicinal chemistry II 5 ADME-Tox approaches ed.-in-chief: John B. Taylor... |
| title_fullStr | Comprehensive medicinal chemistry II 5 ADME-Tox approaches ed.-in-chief: John B. Taylor... |
| title_full_unstemmed | Comprehensive medicinal chemistry II 5 ADME-Tox approaches ed.-in-chief: John B. Taylor... |
| title_short | Comprehensive medicinal chemistry II |
| title_sort | comprehensive medicinal chemistry ii adme tox approaches |
| url | http://www.sciencedirect.com/science/referenceworks/9780080450445 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016143600&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV022938881 |
| work_keys_str_mv | AT taylorjohnb comprehensivemedicinalchemistryii5 |