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Chapter 2: Computational Approaches in the Development of Small-molecule Transcription Factor Inhibitors

Research output: Chapter in Book/Report/Conference proceedingChapter

Paul J.M. Jackson, Shirin Jamshidi, Doaa B. Farag

Original languageEnglish
Title of host publicationTherapies for Retinal Degeneration
Subtitle of host publicationTargeting Common Processes
PublisherRoyal Society of Chemistry
Number of pages13
Publication statusPublished - 1 Jan 2019

Publication series

NameRSC Drug Discovery Series
ISSN (Print)2041-3203
ISSN (Electronic)2041-3211

King's Authors


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.

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