Isolation, Semisynthesis, Covalent Docking and Transforming Growth Factor Beta-Activated Kinase 1 (TAK1)-Inhibitory Activities of (5Z)-7-Oxozeaenol Analogues
- UNCG Author/Contributor (non-UNCG co-authors, if there are any, appear on document)
- Mitchell Croatt, Assistant Professor (Creator)
- Tamam M. El-Elimat (Creator)
- Dow P. Hurst, Research Scientist (Creator)
- Nicholas Oberlies, Patricia A. Sullivan Distinguished Professor of Chemistry (Creator)
- Cedric J Pearce, Adjunct Professor (Creator)
- Patricia H. Reggio, Professor and Department Head (Creator)
- Institution
- The University of North Carolina at Greensboro (UNCG )
- Web Site: http://library.uncg.edu/
Abstract: (5Z)-7-Oxozeanol and related analogues were isolated and screened to explore their activity as TAK1 inhibitors. Seven analogues were synthesized and more than a score of natural products isolated that examined the role that different areas of the molecule contribute to TAK1 inhibition. A novel nonaromatic difluoro-derivative was synthesized that had similar potency compared to the lead. This is the first example of a nonaromatic compound in this class to have TAK1 inhibition. Covalent docking for the isolated and synthesized analogues was carried out and found a strong correlation between the observed activities and the calculated binding.
Isolation, Semisynthesis, Covalent Docking and Transforming Growth Factor Beta-Activated Kinase 1 (TAK1)-Inhibitory Activities of (5Z)-7-Oxozeaenol Analogues
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Additional Information
- Publication
- Bioorganic & Medicinal Chemistry, 23(21), 6993-6999
- Language: English
- Date: 2015
- Keywords
- (5Z)-7-Oxozeaenol, TAK1, Selectfluor®, Covalent docking, Resorcylic acid lactone