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Updated: Apr 26, 2026
Preparation of Quality Inositol Pyrophosphates
Published on: September 3, 2011
Design and Synthesis of an Inositol Phosphate Analog Based on Computational Docking Studies
Zhenghong Peng1, David Maxwell1, Duoli Sun1
1Department of Experimental Therapeutics, University of Texas MD Anderson Cancer Center, 1515 Holcombe Blvd. Box 603, Houston, TX 77030, USA.
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 3'-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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