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Drug Discovery
Small-molecule Transcription Factor Inhibitors in Oncology
Edited by
Khondaker Miraz Rahman;
Khondaker Miraz Rahman
King’s College London, UK
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David E Thurston
David E Thurston
King's College London, UK
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Hardback ISBN:
978-1-78262-145-4
PDF ISBN:
978-1-78262-401-1
EPUB ISBN:
978-1-78801-527-1
Special Collection:
2018 ebook collection
Series:
Drug Discovery
No. of Pages:
199
Published online:
05 Sep 2018
Published in print:
06 Sep 2018
Book Chapter
Chapter 2: Computational Approaches in the Development of Small-molecule Transcription Factor Inhibitors
By
Shirin Jamshidi
;
Shirin Jamshidi
Institute of Pharmaceutical Sciences, Faculty of Life Sciences and Medicine, King's College
London
UK
[email protected]
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Doaa B. Farag
Doaa B. Farag
Institute of Pharmaceutical Sciences, Faculty of Life Sciences and Medicine, King's College
London
UK
[email protected]Faculty of Pharmacy, Misr International University
Cairo
Egypt
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Published:05 Sep 2018
-
Special Collection: 2018 ebook collectionSeries: Drug Discovery
Page range:
42 - 54
Citation
P. J. M. Jackson, S. Jamshidi, and D. B. Farag, in Small-molecule Transcription Factor Inhibitors in Oncology, ed. K. M. Rahman and D. E. Thurston, The Royal Society of Chemistry, 2018, ch. 2, pp. 42-54.
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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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