Literature DB >> 25110363

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

Zhenghong Peng1, David Maxwell1, Duoli Sun1, Yunming Ying2, Paul T Schuber1, Basvoju A Bhanu Prasad1, Juri Gelovani2, Wai-Kwan Alfred Yung2, William G Bornmann1.   

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.

Entities:  

Year:  2014        PMID： 25110363      PMCID： PMC4125022          DOI： 10.1016/j.tet.2013.11.092

Source DB:  PubMed          Journal:  Tetrahedron        ISSN： 0040-4020            Impact factor:   2.457


  22 in total

1.  The Protein Data Bank.

Authors:  H M Berman; J Westbrook; Z Feng; G Gilliland; T N Bhat; H Weissig; I N Shindyalov; P E Bourne
Journal:  Nucleic Acids Res       Date:  2000-01-01       Impact factor: 16.971

2.  Synthesis of the proposed structure of feigrisolide C.

Authors:  Woo Han Kim; Jae Hoon Jung; Lee Taek Sung; Sang Min Lim; Eun Lee
Journal:  Org Lett       Date:  2005-03-17       Impact factor: 6.005

3.  Development and validation of a modular, extensible docking program: DOCK 5.

Authors:  Demetri T Moustakas; P Therese Lang; Scott Pegg; Eric Pettersen; Irwin D Kuntz; Natasja Brooijmans; Robert C Rizzo
Journal:  J Comput Aided Mol Des       Date:  2006-12-06       Impact factor: 3.686

4.  Synthesis of high affinity fluorine-substituted ligands for the androgen receptor. Potential agents for imaging prostatic cancer by positron emission tomography.

Authors:  A Liu; K E Carlson; J A Katzenellenbogen
Journal:  J Med Chem       Date:  1992-05-29       Impact factor: 7.446

5.  A synthetic library of cell-permeable molecules.

Authors:  K Koide; J M Finkelstein; Z Ball; G L Verdine
Journal:  J Am Chem Soc       Date:  2001-01-24       Impact factor: 15.419

6.  Synthetic D- and L-enantiomers of 2,2-difluoro-2-deoxy-myo-inositol 1,4,5-trisphosphate interact differently with myo-inositol 1,4,5-trisphosphate binding proteins: identification of a potent small molecule 3-kinase inhibitor.

Authors:  S T Safrany; D A Sawyer; S R Nahorski; B V Potter
Journal:  Chirality       Date:  1992       Impact factor: 2.437

7.  Sustained Ca2+ signaling in mouse lacrimal acinar cells due to photolysis of "caged" glycerophosphoryl-myo-inositol 4,5-bisphosphate.

Authors:  G S Bird; J F Obie; J W Putney
Journal:  J Biol Chem       Date:  1992-09-05       Impact factor: 5.157

Review 8.  Ins(1,4,5)P3 metabolism and the family of IP3-3Kinases.

Authors:  Krupa Pattni; George Banting
Journal:  Cell Signal       Date:  2004-06       Impact factor: 4.315

Review 9.  Inositol trisphosphate 3-kinases: focus on immune and neuronal signaling.

Authors:  Michael J Schell
Journal:  Cell Mol Life Sci       Date:  2010-01-12       Impact factor: 9.261

10.  Phosphorylation of inositol 1,4,5-trisphosphate analogues by 3-kinase and dephosphorylation of inositol 1,3,4,5-tetrakisphosphate analogues by 5-phosphatase.

Authors:  P Van Dijken; A A Lammers; S Ozaki; B V Potter; C Erneux; P J Van Haastert
Journal:  Eur J Biochem       Date:  1994-12-01
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  1 in total

1.  Mechanism of BIP-4 mediated inhibition of InsP3Kinase-A.

Authors:  Themistoklis Paraschiakos; Wilhelm Flat; Ya Chen; Johannes Kirchmair; Sabine Windhorst
Journal:  Biosci Rep       Date:  2021-07-30       Impact factor: 3.840
  1 in total

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