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From Acid Activation Mechanisms of Proton Conduction to Design of Inhibitors of the M2 Proton Channel of Influenza A Virus.
Front Mol Biosci. 2022 Jan 14;8:796229. doi: 10.3389/fmolb.2021.796229. eCollection 2021.
Front Mol Biosci. 2022.
PMID: 35096969
Free PMC article.
Review.
Elucidating the Activation Mechanism of AMPK by Direct Pan-Activator PF-739.
Aledavood E, Gheeraert A, Forte A, Vuillon L, Rivalta I, Luque FJ, Estarellas C.
Aledavood E, et al.
Front Mol Biosci. 2021 Nov 5;8:760026. doi: 10.3389/fmolb.2021.760026. eCollection 2021.
Front Mol Biosci. 2021.
PMID: 34805275
Free PMC article.
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Novel indolic AMPK modulators induce vasodilatation through activation of the AMPK-eNOS-NO pathway.
Sanz-Gómez M, Aledavood E, Beroiz-Salaverri M, Lagartera L, Vega-Martín E, Gil-Ortega M, Cumella J, Pérez C, Luque FJ, Estarellas C, Fernández-Alfonso MS, Castro A.
Sanz-Gómez M, et al. Among authors: aledavood e.
Sci Rep. 2022 Mar 10;12(1):4225. doi: 10.1038/s41598-022-07077-8.
Sci Rep. 2022.
PMID: 35273216
Free PMC article.
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Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase Activity.
Aledavood E, Moraes G, Lameira J, Castro A, Luque FJ, Estarellas C.
Aledavood E, et al.
J Chem Inf Model. 2019 Jun 24;59(6):2859-2870. doi: 10.1021/acs.jcim.8b00890. Epub 2019 Apr 12.
J Chem Inf Model. 2019.
PMID: 30924649
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Structural basis of the selective activation of enzyme isoforms: Allosteric response to activators of β1- and β2-containing AMPK complexes.
Aledavood E, Forte A, Estarellas C, Javier Luque F.
Aledavood E, et al.
Comput Struct Biotechnol J. 2021 Jun 5;19:3394-3406. doi: 10.1016/j.csbj.2021.05.056. eCollection 2021.
Comput Struct Biotechnol J. 2021.
PMID: 34194666
Free PMC article.
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