Epi-informatics: Discovery And Development Of Small Molecule Epigenetic Drugs And Probes

Paperback | April 6, 2016

byJose Medina-francoEditorJose Medina-franco

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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. Focuses on the discovery of epi-drugs as candidates to be used in therapy including combined therapies Describes new computational methodologies and screening assays utilizing recent and emerging novel structural data Highlights the discovery, development and optimization of epi-probes, which are molecular probes that elucidate epigenetic mechanisms Includes important topics such as computational-guided optimization of epi-hits, virtual screening to identify novel compounds for epigenetic targets, development and mining of epigenetic molecular databases, SAR modeling of screening data and much more

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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...

Dr. José Medina-Franco received a Bachelor of Science degree in chemistry from the National Autonomous University of Mexico (UNAM) in 1998. That same year, he joined Procter & Gamble in Mexico City, working in the research and development department. He received a Master of Science degree in 2002 and a Ph.D. degree in 2005, both from t...

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Format:PaperbackDimensions:440 pages, 8.75 × 6.35 × 0.68 inPublished:April 6, 2016Publisher:Academic PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0128028084

ISBN - 13:9780128028087

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Table of 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