Epi-Informatics: Discovery and Development of Small Molecule Epigenetic Drugs and Probes

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 therapiesDescribes new computational methodologies and screening assays utilizing recent and emerging novel structural dataHighlights the discovery, development and optimization of epi-probes, which are molecular probes that elucidate epigenetic mechanismsIncludes 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 INDICE: Introduction of Epigenetic Targets in Drug Discovery and Current Status of Epi-Drugs and Epi-ProbesOverview of Computer-Aided Drug Design for Epigenetic Targets Structure-Guided Optimization of DNA Methyltransferase InhibitorsDiscovery and Development of Small Molecules Targeting Epigenetic Enzymes with Computational Methods Insilico Optimization of the First DNA-Independent Mechanism-Based Inhibitor of Mammalian DNA Methyltransferase DNMT1Structure-Based Modeling of Histone Deacetylases InhibitorsSearching Histone Deacetylase Inhibitors under Computational ProceduresCurrent Development of Protein Arginine Methyltransferase InhibitorMolecular Design of Compounds Targeting Histone MethyltransferasesComputational Chemical Biology of Methyllysine Histone Effectors  Structure-Based Design and Computational Studies of Sirtuin InhibitorsDrug Repurposing for Epigenetic Targets Guided by Computational MethodsComputational Structure-Activity Relationship Studies of Epigenetic Target InhibitorsRole of Nutrition in Epigenetics and Recent Advances of In Silico StudiesThe Road Ahead of the Epi-Informatics Field

• ISBN: 978-0-12-802808-7
• Editorial: Academic Press
• Encuadernacion: Rústica
• Páginas: 440
• Fecha Publicación: 13/05/2016
• Nº Volúmenes: 1
• Idioma: Inglés