Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5217159 | Tetrahedron | 2014 | 7 Pages |
Abstract
A virtual library of 54 inositol analog mimics of In(1,4,5)P3 has been docked, scored, and ranked within the binding site of human inositol 1,4,5-trisphosphate 3-kinase A (IP3-3KA). Chemical synthesis of the best scoring structure that also met distance criteria for 3â²-OH to -P in phosphate has been attempted along with the synthesis of (1S,2R,3S,4S)-3-fluoro-2,4-dihydroxycyclohexanecarboxylic acid as an inositol analog, useful for non-invasive visualization and quantitation of IP3-3KA enzymatic activity.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Zhenghong Peng, David Maxwell, Duoli Sun, Yunming Ying, Paul T. Jr., Basvoju A. Bhanu Prasad, Juri Gelovani, Wai-Kwan Alfred Yung, William G. Bornmann,