Literature DB >> 20932747

The rational design of a novel potent analogue of the 5'-AMP-activated protein kinase inhibitor compound C with improved selectivity and cellular activity.

Fouzia Machrouhi1, Nouara Ouhamou, Keith Laderoute, Joy Calaoagan, Marina Bukhtiyarova, Paula J Ehrlich, Anthony E Klon.   

Abstract

We have designed and synthesized analogues of compound C, a non-specific inhibitor of 5'-AMP-activated protein kinase (AMPK), using a computational fragment-based drug design (FBDD) approach. Synthesizing only twenty-seven analogues yielded a compound that was equipotent to compound C in the inhibition of the human AMPK (hAMPK) α2 subunit in the heterotrimeric complex in vitro, exhibited significantly improved selectivity against a subset of relevant kinases, and demonstrated enhanced cellular inhibition of AMPK.
Copyright © 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID： 20932747      PMCID： PMC2957560          DOI： 10.1016/j.bmcl.2010.09.088

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  20 in total

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Review 2.  Maximizing discovery efficiency with a computationally driven fragment approach.

Authors:  William R Moore
Journal:  Curr Opin Drug Discov Devel       Date:  2005-05

3.  Grand canonical Monte Carlo simulation of ligand-protein binding.

Authors:  Matthew Clark; Frank Guarnieri; Igor Shkurko; Jeff Wiseman
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4.  Improved naïve Bayesian modeling of numerical data for absorption, distribution, metabolism and excretion (ADME) property prediction.

Authors:  Anthony E Klon; Jeffrey F Lowrie; David J Diller
Journal:  J Chem Inf Model       Date:  2006 Sep-Oct       Impact factor: 4.956

5.  NMR-guided fragment-based approach for the design of tRNA(Lys3) ligands.

Authors:  Florence Chung; Carine Tisné; Thomas Lecourt; Frédéric Dardel; Laurent Micouin
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Review 6.  AMPK inhibition in health and disease.

Authors:  Benoit Viollet; Sandrine Horman; Jocelyne Leclerc; Louise Lantier; Marc Foretz; Marc Billaud; Shailendra Giri; Fabrizio Andreelli
Journal:  Crit Rev Biochem Mol Biol       Date:  2010-08       Impact factor: 8.250

7.  5'-AMP-activated protein kinase (AMPK) is induced by low-oxygen and glucose deprivation conditions found in solid-tumor microenvironments.

Authors:  Keith R Laderoute; Khalid Amin; Joy M Calaoagan; Merrill Knapp; Theresamai Le; Juan Orduna; Marc Foretz; Benoit Viollet
Journal:  Mol Cell Biol       Date:  2006-07       Impact factor: 4.272

8.  Structural variations in the catalytic and ubiquitin-associated domains of microtubule-associated protein/microtubule affinity regulating kinase (MARK) 1 and MARK2.

Authors:  Alexander Marx; Chanakya Nugoor; Jens Müller; Saravanan Panneerselvam; Thomas Timm; Matthias Bilang; Efstratios Mylonas; Dmitri I Svergun; Eva-Maria Mandelkow; Eckhard Mandelkow
Journal:  J Biol Chem       Date:  2006-06-27       Impact factor: 5.157

9.  Role of AMP-activated protein kinase in mechanism of metformin action.

Authors:  G Zhou; R Myers; Y Li; Y Chen; X Shen; J Fenyk-Melody; M Wu; J Ventre; T Doebber; N Fujii; N Musi; M F Hirshman; L J Goodyear; D E Moller
Journal:  J Clin Invest       Date:  2001-10       Impact factor: 14.808

Review 10.  Regulation of fatty acid synthesis and oxidation by the AMP-activated protein kinase.

Authors:  D G Hardie; D A Pan
Journal:  Biochem Soc Trans       Date:  2002-11       Impact factor: 5.407
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  4 in total

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Journal:  Pharmacol Ther       Date:  2014-02-26       Impact factor: 12.310

2.  A High Throughput Assay for Discovery of Small Molecules that Bind AMP-activated Protein Kinase (AMPK).

Authors:  Sarah E Sinnett; Jonathan Z Sexton; Jay E Brenman
Journal:  Curr Chem Genom Transl Med       Date:  2013-09-03

3.  Exendin-4 Preserves Blood-Brain Barrier Integrity via Glucagon-Like Peptide 1 Receptor/Activated Protein Kinase-Dependent Nuclear Factor-Kappa B/Matrix Metalloproteinase-9 Inhibition After Subarachnoid Hemorrhage in Rat.

Authors:  Zhiyi Xie; Budbazar Enkhjargal; Matei Nathanael; Lingyun Wu; Qiquan Zhu; Tongyu Zhang; Jiping Tang; John H Zhang
Journal:  Front Mol Neurosci       Date:  2021-12-23       Impact factor: 5.639

Review 4.  In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs.

Authors:  Zarko Gagic; Dusan Ruzic; Nemanja Djokovic; Teodora Djikic; Katarina Nikolic
Journal:  Front Chem       Date:  2020-01-08       Impact factor: 5.221
  4 in total

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