目次
volume 1. General perspective : the future of drug discovery -- volume 2. Drug discovery technologies -- volume 3. In silico drug discovery tools -- volume 4. Experimental ADME and toxicology -- volume 5. Cancer, immunology and inflammation, and infectious disease -- volume 6. Biologics medicine -- volume 7. CNS, pain, metabolic syndrome, cardiovascular, tissue fibrosis and urinary incontinence -- volume 8. Case histories in recent drug discovery
9780128032015v1_WEB.pdf; Front Cover; COMPREHENSIVE MEDICINAL CHEMISTRY III; COMPREHENSIVE MEDICINAL CHEMISTRY III; Copyright; PREFACE; EDITORS-IN-CHIEF: BIOGRAPHIES; CONTRIBUTORS TO VOLUME 1; CONTENTS OF ALL VOLUMES; EDITORIAL BOARD; GENERAL PERSPECTIVE - THE FUTURE OF MEDICINAL CHEMISTRY; Introduction; PERMISSION ACKNOWLEDGMENTS; 1.01 -- Academic Drug Discovery Centers: Key Players in the Future of the Pharmaceutical Industry; 1.01.1 Pharmaceutical Industry Challenges: Productivity, Cost, Politics, and Patent Expirations; 1.01.2 The Bayh-Dole Act of 1980: A Catalyst for Academic Drug Discovery
1.01.2.1 The Role of Academic Drug Discovery Centers; 1.01.2.2 Academic Drug Discovery Center Structure and Function; 1.01.2.3 Founder Focused Academic Drug Discovery Centers; 1.01.2.4 Research Coordination Academic Drug Discovery Centers; 1.01.2.5 Fully Integrated Academic Drug Discovery Centers; 1.01.2.6 US Academic Drug Discovery Centers; 1.01.2.7 Risks and Rewards of Academic Drug Discovery Centers; 1.01.3 Concluding Remarks; References; 1.02 -- Drug Repurposing Review; 1.02.1 Historical Perspective; 1.02.2 Successes: From Chance Clinical Findings to Determinate Strategy
1.02.3 Advantages and Disadvantages of Drug Repurposing; 1.02.3.1 Attritional Risk; 1.02.3.2 Cost; 1.02.3.3 Time; 1.02.3.4 Disadvantages; 1.02.4 Variants; 1.02.4.1 Repurposing of Generic Drugs; 1.02.4.2 Public/Private Partnerships for Repurposing of Abandoned Assets; 1.02.4.3 Off-Target Versus On-Target; 1.02.4.4 Rare Diseases; 1.02.5 Approaches to the Identification of Drug Repurposing Candidates; 1.02.5.1 Experimental Approaches; 1.02.5.1.1 Target-association screening; 1.02.5.2.2 Phenotypic screening; 1.02.5.2 Knowledge-Based Approaches; 1.02.5.2.1 Literature-based; 1.02.5.1.2 Ontologies
1.02.5.3 Retrospective Analysis; 1.02.6 Data Mining Approaches for the Prediction of Drug Repurposing Opportunities; 1.02.6.1 Data Types; 1.02.6.2 Data Processing; 1.02.6.3 Resources; 1.02.6.4 Validation; 1.02.6.5 Structure-Target Data Mining; 1.02.6.5.1 Chemical structure methods; 1.02.6.5.2 Protein structure methods; 1.02.6.5.3 Molecular docking and binding site similarity; 1.02.6.5.4 Drug-target interaction profiles; 1.02.6.6 Effects-Based Data Mining; 1.02.6.6.1 Genome-based; 1.02.6.6.2 Transcriptome-based; 1.02.6.6.3 Proteome-based; 1.02.6.6.4 Phenome-based; 1.02.6.7 Integrated Approaches
1.02.6.8 Practical Considerations; 1.02.7 Beyond Repurposing: Tailoring an Existing Drug for a New Use; References; 1.03 -- Human iPSC Models in Drug Discovery: Opportunities and Challenges; 1.03.1 Introduction; 1.03.1.1 Historical and Technological Advances; 1.03.1.2 Human Biology Context; 1.03.2 iPSCs ex vivo Disease Models; 1.03.2.1 Human iPSC-Derived Cell Models to Study Disease in Cellular- and Genomic-Relevant Contexts; 1.03.2.1.1 Patient iPSC differentiation into disease-relevant cell types; 1.03.2.1.2 Assessing disease mechanisms in complex genetic disorders
1.03.2.2 Integrative and Translational Research of Human Disease Etiology