Small Molecule Drug Discovery

The discovery of novel molecular entities capable of specific interactions represents a significant challenge in early drug discovery. Small molecules are low molecular weight organic compounds that include natural products and metabolites, as well as drugs and other xenobiotics. When the biological target is well defined and understood, the rational design of small molecule ligands is possible. Alternatively, small molecule libraries are being used for unbiased assays for complex diseases where a target is unknown or multiple factors contribute to a disease pathology.

Small Molecule Drug Discovery addresses methods, molecules and applications of small molecules drug discovery, including contributions on the methods used to identify bioactive small molecules, synthetic strategies and techniques to produce novel chemical entities and small molecule libraries, chemoinformatics to characterize and enumerate chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the book gives an overview of privileged cyclic small molecules and major classes of natural product-derived small molecules, including carbohydrate-derived compounds, peptides and peptidomimetics, and alkaloid-inspired compounds. The last section comprises an exciting collection of selected case studies on drug discovery enabled by small molecules in the fields of cancer research, CNS diseases and infectious diseases.

• Outlines modern concepts and synthetic strategies underlying the building of small molecules and their chemical libraries useful for drug discovery
• Provides modern biophysical methods to screening small molecule libraries, including high-throughput screening, small molecule microarrays, phenotypic screening and chemical genetics
• Presents most advanced chemoinformatics tools to characterize the structural features of small molecule libraries in terms of chemical diversity and complexity, also including the application of virtual screening approaches
• Gives an overview of structural features and classification of natural product-derived small molecules, including carbohydrate derivatives, peptides and peptidomimetics, and alkaloid-inspired small molecules
• Discusses selected case studies of the application of small molecules in diverse fields of drug discovery, such as cancer research, infectious diseases and CNS diseases, illustrating the successful approach of small molecules drug discovery

Researchers, scientists and graduate students in organic synthesis, chemical biology and drug discovery. Researchers and scientists in chemoinformatics, bioorganic chemistry and combinatorial chemistry

1. Synthetic Approaches Toward Small Molecule Libraries
2. Chemical Reactions for Building Small Molecules
3. Chemoinformatics to Assess Chemical Diversity and Complexity of Small Molecules
4. Virtual Screening of Small Molecule Libraries
5. Biophysical Methods for Screening and Characterization of Small Molecules
6. sp2-Iminosugars as Chemical Mimics for Glycodrug Design
7. Synthesis and Biological Properties of Spiroacetal-containing Small Molecules
8. Centrocountins- Synthesis and Chemical Biology of Nature Inspired Indoloquinolizines
9. PPIs as Therapeutic Targets for Anti-cancer Drug Discovery: The Case Study of MDM2 and BET bromodomain inhibitors
10. Discovery of Small Molecules for the Treatment of Alzheimer's disease