[SCAN] Bridging simulation and experiment in elucidating VDAC’s role in oncogenesis and apoptosis

Title: Bridging simulation and experiment in elucidating VDAC’s role in oncogenesis and apoptosis

Speaker: Manuel Melo

From: ITQB NOVA

Abstract: At the Multiscale Modeling Lab, we have identified how the voltage-dependent anion channel (VDAC), present in the mitochondrial outer membrane, mediates lipid interactions that can lead to apoptosis.

In continuing this research, we have now been able to observe a further VDAC role as anchoring platform for the hexokinase I glycolysis enzyme.

This is relevant because this association can enable a hyperglycolytic metabolic state which, in tumors, powers cell proliferation.

Through the use of coarse-grain molecular dynamics, we were able to observe the structural and dynamic details of how VDAC interactions take place, and how they are affected by the interplay with the membrane. In parallel, experimental collaborators were able to not only validate but also build upon the observations from simulations, in a truly multidisciplinary approach.

SCANs are weekly seminars that happen every Wednesday at noon by in-house researchers and invited speakers at ITQB NOVA.