LeadBuilder

Using virtual screening for hit identification and lead optimisation

LeadBuilder is the proprietary lead generation platform that has been developed by Domainex to provide unusually rapid and cost-effective access to high-quality hits. This technology integrates our state-of-the-art capability in three key areas: compound collection design and selection; protein modeling; and virtual screening.

Within LeadBuilder we have a virtual compound library (“NICE”) of commercially available compounds that have been carefully selected to meet all of our criteria for an “ideal” screening hit, so that they have several potential points of interaction with a target protein; very favourable molecular properties; and a good predicted ADME-Tox profile. We use powerful virtual screening methods to analyse our NICE set of compounds so that we can develop from knowledge of the target protein, and/or known ligands.

Hits compounds of high quality are identified by selecting what is absolutely relevant to the target protein from the universe of diverse, relatively cheap, commercially available compounds, whilst saving the time and expense needed to build a large screening collection. LeadBuilder hits are designed to be well-suited to rapid modification, in order to develop all the characteristics required of a candidate drug, including a strong patent position.