| |
Computer-aided, structure-based,
molecular modelling is being employed to design
novel, small drug molecules that specifically
inhibit glycogen synthase kinase 3bGSK3ß, a multifunctional
enzyme that is involved in many different metabolic
processes, and signalling pathways. High levels
of GSK3ß activity have been implicated in the
pathology of diseases including: Type II diabetes,
Alzheimer's Disease (and related neurological
disorders), and stroke. The two approaches are
- Modelling putative binding site pharmacophores,
using two complementary strategies, from the
structure of GSK3ß, and
- Generating small molecule leads based on these
pharmacophores and then optimising the small
molecules using binding potency and 'drug likeness'
simulations.
These approaches will produce molecules that will
have the required characteristics of good drug
leads and also reduce both the time and cost of
drug design.
Contact Details of Program Leader
Name: Dr Steve Bottomley
Institution: WABRI - Curtin University
GPO Box U1987, Perth WA 6845
Phone: +61 8 9266 4369
Fax: +61 8 9266 2342
E-mail:
|
|
