«Our computer aided drug screening process has now identified two new
classes of anti-cancer agents, specifically targeting two distinct and
novel mechanisms underpinning cancer,» said Dr Andrea Brancale from Cardiff University's School
of Pharmacy, who led on the
compound's design.
We developed several computational and machine learning methods to successfully identify behavioral patterns or signatures associated with different
classes of reference drugs, from which to predict the
class of novel compounds (Brunner et al., 2012, Alexandrov et al., 2015), and more recently developed methods to allow us to compare animal models
of AD and its progression, and to identify (in silico)
novel compounds from our existing database
of thousands
of novel and reference
compounds with the potential to reverse the AD model behavioral profile.