146
Modeling of Biomolecular Systems Interactions, Dynamics, and Allostery Poster Session II
93-POS
Board 46
Hexokinase II as a Structure-based Cancer Target
Andromachi Xypnitou
1,2
, Martin Wear
1
, Matthew Nowicki
1
, Elizabeth Blackburn
1
, Douglas
Houston
1
, Alan Wise
2
, Malcolm Walkinshaw
1
.
1
University of Edinburgh, Edinburgh, United Kingdom,
2
TPP development, Edinburgh, United
Kingdom.
Hexokinase isoform II (HKII) catalyzes the first step of the glycolytic pathway, converting
glucose to glucose-6-phosphate (Glc-6-P). This enzyme has been found to be implicated in many
cancer types with an increased expression that maintains the highly glycolytic phenotype of
malignant cells (Warburg effect). The present study aims to identify novel inhibitors of HKII
using structure-based drug design. HKII is also inhibited by its product Glc-6-P. We are studying
this potential allosteric mechanism as a route to the discovery of novel inhibitors.
