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Free Energy-Based Methods to Understand Drug Resistance Mutations Read chapter Read first chapter

2019 | OriginalPaper | Chapter

Integrated Chemoinformatics Approaches Toward Epigenetic Drug Discovery

Authors : Saurabh Loharch, Vikrant Karmahapatra, Pawan Gupta, Rethi Madathil, Raman Parkesh

Published in: Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Publisher: Springer International Publishing

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Abstract

Epigenetics has become an important field of research in drug discovery. Epigenetic mechanisms are dynamic in nature and play a fundamental role in cellular processes. Dysregulation of epigenetic events, including cross-talk between DNA methylation and histone modifications, not only affects gene expression but also causes pathophysiological effects leading to cancer, aging, cardiovascular, neurological, and metabolic disorders. Epigenetic targets have captured the attention of researchers from diverse backgrounds to identify potential drugs for various diseases. However, drug development is a complex, time-consuming process and challenged by the high attrition rate. As with many chemotherapeutics, it is pertinent to avoid possible risk factors in epigenetic drug discovery. In this context, computational approaches can rationally guide the search for active compounds by utilizing the accumulated epigenetics knowledge base. In this chapter, we have described the chemoinformatic strategies that can be applied to facilitate the early-stage lead discovery in epigenetics, based on current best practices.

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previous chapter Recent Advancements in Computing Reliable Binding Free Energies in Drug Discovery Projects
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Metadata
Title
Integrated Chemoinformatics Approaches Toward Epigenetic Drug Discovery
Authors
Saurabh Loharch
Vikrant Karmahapatra
Pawan Gupta
Rethi Madathil
Raman Parkesh
Copyright Year
2019
Book
Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Print ISBN: 978-3-030-05281-2

Electronic ISBN: 978-3-030-05282-9

Copyright Year: 2019

DOI
https://doi.org/10.1007/978-3-030-05282-9_8

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