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Chapter 2

Computational Approaches in the Development of Small-molecule Transcription Factor Inhibitors

This chapter describes the use of computational methods in the development of small-molecule transcription factor inhibitors. Methodologies such as virtual screening, docking, quantitative structure–activity relationship (QSAR) and molecular dynamics simulation are discussed and specific examples of their use in the development of NF-κB and STAT3 inhibitors are outlined.

Publication details


Print publication date
06 Sep 2018
Copyright year
2019
Print ISBN
978-1-78262-145-4
PDF eISBN
978-1-78262-401-1
ePub eISBN
978-1-78801-527-1
From the book series:
Drug Discovery