NEW YORK, Oct. 26 Reportlinker.com announces that a new market research report is available in its catalogue.
Reportlinker Adds Medicinal Chemistry for Drug Discovery: Significance of Recent Trends
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A thorough analysis of recent trends in medicinal chemistry and evaluation of their significance for advancing productivity in drug discovery is presented. This report includes:
A critical evaluation of chemical and computational technological modalities, their current and potential value, and their commercial manifestations.
A consideration of market dynamics with an emphasis on outsourcing and user views on the implications of current practices in drug discovery organizations.
Insights gleaned from an extensive literature review, discussions with industry experts, and an opinion survey of personnel active in medicinal chemistry for drug discovery.
Medicinal Chemistry for Drug Discovery: Significance of Recent Trends reviews the state of the art and aims to determine the significance of technology and market trends in medicinal chemistry for advancing productivity in drug discovery. Although the fundamental task of medicinal chemists has not changed drastically over time, the chemical and computational tools and perspectives at their disposal have advanced significantly. One in particular, fragment-based drug design, stands out as promising major improvements in research productivity.
We examine medicinal chemistry-related approaches and methodologies that drug discovery organizations employ in an effort to increase productivity in early drug discovery and decrease attrition at later pipeline stages. Key topics considered include structure-based drug design, fragment-based drug design, natural products-based drug design, diversity-oriented synthesis, and chemogenomics. An overall assessment of the current and potential value of these approaches is presented. Various flavors of computer-aided drug design are also considered, as the complexity and limitations of drug discovery programs that are based on biochemical screens of large compound collections have been major factors in stimulating the growth of this modality.
Chapter 1
INTRODUCTION
1.1. Background
1.2. Scope and Nature of the Report
Chapter 2
EVOLUTION OF ORGANIC AND MEDICINAL CHEMISTRY IN PHARMA
2.1. Pharmaceutical Trends over Time
2.2. Combinatorial Chemistry
2.3. Lipinski's Rule of Five
2.4. Impact of Lipinski's Rule of Five
Chapter 3
ORGANIC AND MEDICINAL CHEMISTRY TECHNOLOGIES FOR DRUG DISCOVERY
3.1. Computer-Aided Drug Design
Virtual Screening
Target Structure-Based Design
Ligand Structure-Based Design
De Novo Compound Design
QSAR (Quantitative Structure-Activity Relationship)
Fragment-Based Drug Design
3.2. Diversity-Oriented Synthesis in Drug Design
3.3. Natural Products-Based Drug Design
3.4. Chemogenomics and Drug Design
3.5. Perspectives
Chapter 4
APPLICATIONS OF ORGANIC AND MEDICINAL CHEMISTRY IN DRUG DISCOVERY
4.1. Overview of Technology Approaches of Outsourcing Vendors
4.2. Overview of Service Offerings by Drug Discovery Outsourcing Vendors
4.3. Structure-Based Drug Design
4.4. Fragment-Based Drug Design
4.5. Natural Products-Based Drug Discovery
4.6. Diversity-Oriented Synthesis in Drug Discovery
4.7. Virtual Screening
Chapter 5
MARKET DYNAMICS
5.1. Outsourcing Dynamics
5.2. Survey of Chemists and Managers Active in Medicinal Chemistry
Survey Conclusions
Chapter 6
CONCLUSIONS AND FUTURE TRENDS
6.1. Optimizing the Interplay of Chemistry and Biology
6.2. Effects of the "Industrialization" of Drug Discovery
Chapter 7
EXPERT INTERVIEWS
7.1. Christopher Lipinski, PhD
Drug Discovery Consultant, Retired Senior Research Fellow, Pfizer
7.2. Celerino Abad-Zapatero, PhD
Adjunct Professor, University of Illinois at Chicago, Center for Pharmaceutical Biotechnology
7.3. Medicinal Chemistry Executive
Anonymous; Veteran from Big Pharma
7.4. Gilbert Rishton, PhD
Founder and Director, Alzheimer's Institute, California State University Channel Islands
7.5. Steven Muskal, PhD
CEO, Eidogen-Sertanty
7.6. Informatics Chemist
Anonymous; Big Pharma
7.7. Sidney Topiol, PhD
Associate Director, Computational Chemistry, Lundbeck Research
Tables and Figures
Figures
Figure 3.1. The Molecular Diversity Spectrum
Figure 7.1. PXR - Promiscuous Ligand-Binding Site
Tables
Table 3.1. Examples of Drug Targets for which High-Resolution X-ray Structures are Available
Table 4.1. Technological Approaches of Selected Drug Discovery Outsourcing Vendors
Table 4.2. Product/Service Offerings of Selected Drug Discovery Outsourcing Vendors
Table 4.3. Compounds Derived from Fragment-Based Drug Design Currently in Clinical Trials
Table 5.1. Selected Outsourcing Deals
Table 5.2. Survey Respondents by Job Position
Table 5.3. Survey Respondents by Job Function
Table 5.4. Involvement in Drug Discovery Chemistry
Table 5.5. Stages of Chemistry Involved In
Table 5.6. Current and Projected Involvement in Structure-Based Drug Design
Table 5.7. Current and Projected Involvement in Ligand-Based Drug Design
Table 5.8. Current and Projected Involvement in Quantitative Structure-Activity Relationship (QSAR)
Table 5.9. Current and Projected Involvement in Fragment-Based Drug Design
Table 5.10. Current and Projected Involvement in Natural Products-Based Drug Design
Table 5.11. Current and Projected Involvement in Diversity-Oriented Synthesis for Drug Design
Table 5.12. Current and Projected Involvement in Chemogenomics
Table 5.13. Significance of Approaches for Advancing Productivity
Table 5.14. Use of Virtual Screening in Selection of Screening Libraries
Table 5.15. Effect of Structure/Fragment-Based Design on Preclinical Success
Table 5.16. Effect of Structure/Fragment-Based Design on Phase II Success
Table 5.17. Extent of Natural Products Inclusion
Table 5.18. Influence of Natural Product Structures on Library Design
Table 5.19. Makeup of Libraries Selected for Primary Screens
Table 5.20. Contribution of Computer-Aided Drug Design
Table 5.21. Outsourcing Synthesis for Primary Screening Libraries
Table 5.22. Outsourcing Synthesis of Hit-to-Lead Libraries
Table 5.23. Outsourcing Synthesis for Lead Optimization
Table 5.24. Outsourcing Synthesis for Process Development
Table 5.25. Organic/Medicinal Chemistry Budget Expectations, 2009
Table 5.26. Organic/Medicinal Chemistry Budget Expectations, 3-Year Projection
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Reportlinker Adds Medicinal Chemistry for Drug Discovery: Significance of Recent Trends
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