creators_name: Loharch, Saurabh
creators_name: Karmahapatra, Vikrant
creators_name: Gupta, Pawan
creators_name: Madathil, Rethi
creators_name: Parkesh, Raman
editors_name: Mohan, C.
type: book_section
datestamp: 2019-12-12 10:05:39
lastmod: 2019-12-12 10:05:39
metadata_visibility: show
title: Integrated Chemoinformatics Approaches Toward Epigenetic Drug Discovery.
ispublished: pub
subjects: QR
keywords: Chemoinformatics; Epigenetics; Drug discovery; Screening library Scaffolds Chemical space 
note: Copyright of this article belongs to Springer Nature.
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.
date: 2019-01-11
date_type: published
volume: 27
publisher: Springer Nature
place_of_pub: Switzerland
pagerange: 247-269
refereed: TRUE
book_title: Structural Bioinformatics: Applications in Preclinical Drug Discovery Process
citation:   Loharch, Saurabh and Karmahapatra, Vikrant and Gupta, Pawan and Madathil, Rethi and Parkesh, Raman  (2019) Integrated Chemoinformatics Approaches Toward Epigenetic Drug Discovery.   In:  Structural Bioinformatics: Applications in Preclinical Drug Discovery Process.   Springer Nature, Switzerland, pp. 247-269.