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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
Pages42-54
Number of pages13
Edition65
DOIs
StatePublished - 1 Jan 2019

Publication series

NameRSC Drug Discovery Series
Number65
Volume2019-January
ISSN (Print)2041-3203
ISSN (Electronic)2041-3211

King's Authors

Abstract

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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