Small Molecule Drug Discovery Methods Molecules and Applications 1st Edition by Andrea Trabocchi, Elena Lenci ISBN 0128183500 9780128183502

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ISBN 10:      0128183500
ISBN 13: 978-0128183502
Author:      Andrea Trabocchi, Elena Lenci

Small Molecule Drug Discovery: Methods, Molecules and Applications 1st Table of contents:

Chapter 1. Synthetic Approaches Toward Small Molecule Libraries

1.1 Introduction
1.2 What is a Small Molecule?
1.3 Historical Perspective
1.4 Drugs from Natural Products
1.5 Rational Design of Small Molecule Drugs
1.6 Combinatorial Chemistry and DNA-Encoded Libraries
1.7 Diversity-Oriented Synthesis
1.8 Biology-Oriented Synthesis
1.9 Conclusions and Future Outlook

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Chapter 2. Chemical Reactions for Building Small Molecules

2.1 Introduction
2.2 Cross-Coupling Reactions
2.3 Cycloaddition Reactions
2.4 Multicomponent Reactions
2.5 Photochemical Processes
2.6 Late-Stage Functionalizations
2.7 Conclusions and Outlook

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Chapter 3. Chemoinformatics Approaches to Assess Chemical Diversity and Complexity of Small Molecules

3.1 Introduction
3.2 Diversity Analysis
3.3 Molecular Complexity
3.4 Combining Diversity and Molecular Complexity
3.5 Conclusions and Future Directions

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Chapter 4. Virtual Screening of Small-Molecule Libraries

4.1 Introduction
4.2 Structure-Based Virtual Screening
4.3 Ligand-Based Virtual Screening
4.4 Small-Molecule Libraries for Virtual Screening
4.5 In Silico Validation of Virtual Screening
4.6 Post-Screening Process
4.7 Perspective

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Chapter 5. Screening and Biophysics in Small Molecule Discovery

5.1 Introduction
5.2 Background and Scope
5.3 Biophysical Methods Used in HTS
5.4 Biophysical Methods Used for Hit Validation
5.5 Structural Methodologies
5.6 Case Study Using Biophysical Methods in Concert to Discover Small Molecule Stabilizers of the 14-3-3/Estrogen Receptor Complex

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Chapter 6. Principles and Applications of Small Molecule Peptidomimetics

6.1 Introduction
6.2 Definition and Classification
6.3 Strategic Approaches to Peptidomimetic Design
6.4 Peptidomimetic Molecules
6.5 Secondary Structure Peptidomimetics
6.6 Application of Peptidomimetics as Protease Inhibitors
6.7 Conclusion

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Chapter 7. sp2-Iminosugars as Chemical Mimics for Glycodrug Design

7.1 Introduction
7.2 sp2-Iminosugars as Antiproliferative and Antimetastatic Agents
7.3 sp2-Iminosugars in Cancer Immunotherapy
7.4 sp2-Iminosugars as Antileishmanial Candidates
7.5 sp2-Iminosugars and Inflammation
7.6 Concluding Remarks

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Chapter 8. Synthesis and Biological Properties of Spiroacetal-Containing Small Molecules

8.1 Introduction
8.2 Biological Relevance of the Spiroacetal Moiety
8.3 Versatile Synthetic Methods for Accessing Spiroacetals
8.4 Synthesis of Libraries of Spiroacetal-Containing Small Molecules
8.5 Conclusion and Future Directions

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Chapter 9. Centrocountins—Synthesis and Chemical Biology of Nature-Inspired Indoloquinolizines

9.1 Introduction
9.2 Synthesis of Natural Product-Inspired Tetrahydroindolo[2,3-a]quinolizines
9.3 Phenotypic Screening and Discovery of Centrocountins as Novel Mitotic Inhibitors
9.4 Identification and Confirmation of Cellular Targets of Centrocountin-1
9.5 Conclusion

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Chapter 10. PPIs as Therapeutic Targets for Anticancer Drug Discovery: The Case Study of MDM2 and BET Bromodomain Inhibitors

10.1 Introduction
10.2 The Case Study of the p53-MDM2 PPI Inhibitor APG-115
10.3 Development of the BET Bromodomain Ligand I-BET762
10.4 Inhibitors of PPIs in Clinical Trials
10.5 Conclusion

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Chapter 11. Discovery of Small Molecules for the Treatment of Alzheimer’s Disease

11.1 Introduction
11.2 Small Molecules as Multitargeting Ligands (Multitarget-Directed Ligands)
11.3 Conclusions and Future Directions

 

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