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Open AccessExtended Abstract

Understanding the Mechanism of Direct Activation of AMP-Kinase: Towards a Fine Allosteric Tuning of the Kinase Activity

1
Department of Nutrition, Food Science and Gastronomy, Faculty of Pharmacy and Food Sciences, Institute of Biomedicina (IBUB) and Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona, Santa Coloma de Gramenet 08921, Spain
2
Faculdade de Ciências Naturais, Campus Universitário do Marajó-Breves, Universidade Federal do Pará (CUMB-UFPA), 68000-000 Breves, Brazil
3
Instituto de Química Médica, Consejo Superior de Investigaciones Científicas (IQM-CSIC), 28006 Madrid, Spain
*
Author to whom correspondence should be addressed.
Presented at the 2nd Molecules Medicinal Chemistry Symposium (MMCS): Facing Novel Challenges in Drug Discovery, Barcelona, Spain, 15–17 May 2019.
Proceedings 2019, 22(1), 12; https://doi.org/10.3390/proceedings2019022012
Published: 7 August 2019
(This article belongs to the Proceedings of The Molecules Medicinal Chemistry Symposium)
PDF [185 KB, uploaded 7 August 2019]
Note: In lieu of an abstract, this is an excerpt from the first page.

Excerpt

This research deals with the regulation of the AMPK activity by direct activators, such as
compound A-769662 [...]
Keywords: AMP-kinase; Direct activator; Molecular dynamics simulations AMP-kinase; Direct activator; Molecular dynamics simulations
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Aledavood, E.; Moraes, G.; Lameira, J.; Castro, A.; Luque, F.J.; Estarellas, C. Understanding the Mechanism of Direct Activation of AMP-Kinase: Towards a Fine Allosteric Tuning of the Kinase Activity. Proceedings 2019, 22, 12.

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