Main description:

Epi-Informatics: Discovery and Development of Small Molecule Epigenetic Drugs and Probes features multidisciplinary strategies with strong computational approaches that have led to the successful discovery and/or optimization of compounds that act as modulators of epigenetic targets. This book is intended for all those using or wanting to learn more about computational methodologies in epigenetic drug discovery, including molecular modelers, informaticians, pharmaceutical scientists, and medicinal chemists.

With a better understanding of different molecular modeling and cheminformatic approaches, readers can incorporate these techniques into their own drug discovery projects that may involve chemical synthesis and medium- or high-throughput screening. In addition, this book highlights the significance of epigenetic targets to the public health for molecular modelers and chemoinformatians. The goal of this reference is to stimulate ongoing multidisciplinary research and to further improve current computational methodologies and workflows in order to accelerate the discovery and development of epi-drugs and epi-probes.

Contents:

1. Introduction of Epigenetic Targets in Drug Discovery and Current Status of Epi-Drugs and Epi-Probes 2. Overview of Computer-Aided Drug Design for Epigenetic Targets 3. Structure-Guided Optimization of DNA Methyltransferase Inhibitors 4. Discovery and Development of Small Molecules Targeting Epigenetic Enzymes with Computational Methods 5. Insilico Optimization of the First DNA-Independent Mechanism-Based Inhibitor of Mammalian DNA Methyltransferase DNMT1 6. Structure-Based Modeling of Histone Deacetylases Inhibitors 7. Searching Histone Deacetylase Inhibitors under Computational Procedures 8. Current Development of Protein Arginine Methyltransferase Inhibitor 9. Molecular Design of Compounds Targeting Histone Methyltransferases 10. Computational Chemical Biology of Methyllysine Histone Effectors 11. Structure-Based Design and Computational Studies of Sirtuin Inhibitors 12. Drug Repurposing for Epigenetic Targets Guided by Computational Methods 13. Computational Structure-Activity Relationship Studies of Epigenetic Target Inhibitors 14. Role of Nutrition in Epigenetics and Recent Advances of In Silico Studies 15. The Road Ahead of the Epi-Informatics Field