Mammalian AMP-activated protein kinase (AMPK) is a
Ser108/Thr132 heterotrimeric enzyme complex (one catalytic subunit
a and two regulatory subunits b and g) with a key role as sensor in
the cellular energy homeostasis. This function confers AMPK a major
role in numerous metabolic disorders, such as type 2 diabetes,
obesity and cancer, and explains the progressive interest as a
therapeutic target. AMPK is regulated by several mechanisms
including indirect and direct activators, which show clear specificity
by a particular subunit. We have carried out a series of molecular
dynamic simulations of the apo and holo forms of AMPK to gain
insight into the mechanism of AMPK activation.
CitacióEstarellas, C. [et al.]. Theoretical study on the activation mechanism of AMP-kinase by means of Molecular Dynamics Simulations. A: "BSC Doctoral Symposium (2nd: 2015: Barcelona)". 2nd ed. Barcelona: Barcelona Supercomputing Center, 2015, p. 132-133.