Welsh Computer-aided Drug Design (CADD) Platform
Computer–aided drug design (CADD) has often being indicated as a powerful tool to speed up the drug discovery process. In silico techniques, like molecular docking and de novo drug design, can offer some advantages over the lab based screening methods, being both faster and cheaper.
The aim of this platform is to give Welsh researchers, from different scientific backgrounds, access to this set of techniques, to be used in their drug discovery projects. The facility will provide a variety of services, depending on the needs of the researchers, from offering basic support to current projects, to generating preliminary data to support future grant applications. Access to the platform will be open to all researchers in Wales.
Researchers in Wales will be able to take advantage of the Cardiff University School of Pharmacy and Pharmaceutical Sciences expertise in the field of Computer-aided drug design field. In particular, we will offer support to a variety drug discovery projects (from hit identification to lead optimisation) by offering access, among others, to the following methodologies:
Ligand-Based Drug Design:
QSAR
3D-QSAR
Shape-based virtual screening
Structure-Based Drug Design:
Molecular docking and virtual screening
De novo drug design
Molecular Dynamics
Homology Modelling
For further details please contact Dr. Andrea Brancale (brancalea@cardiff.ac.uk) on (02920) 874485.
