Design and Synthesis of an Inositol Phosphate Analog Based on Computational Docking Studies

A virtual library of 54 inositol analog mimics of In(1,4,5)P(3) has been docked, scored, and ranked within the binding site of human inositol 1,4,5-trisphosphate 3-kinase A (IP(3)-3KA). Chemical synthesis of the best scoring structure that also met distance criteria for 3′-OH to -P in Phosphate has...

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Hlavní autoři: Peng, Zhenghong, Maxwell, David, Sun, Duoli, Ying, Yunming, Schuber, Paul T., Bhanu Prasad, Basvoju A., Gelovani, Juri, Yung, Wai-Kwan Alfred, Bornmann, William G.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2013
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On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4125022/
https://ncbi.nlm.nih.gov/pubmed/25110363
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.tet.2013.11.092
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