Integrated Chemoinformatics Approaches Toward Epigenetic Drug Discovery.

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.

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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.

Item Type: Book Section
Additional Information: Copyright of this article belongs to Springer Nature.
Uncontrolled Keywords: Chemoinformatics; Epigenetics; Drug discovery; Screening library Scaffolds Chemical space
Subjects: Q Science > QR Microbiology
Depositing User: Dr. K.P.S.Sengar
Date Deposited: 12 Dec 2019 10:05
Last Modified: 12 Dec 2019 10:05

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