Sussex Drug Discovery Centre (SDDC)

Compound collections & virtual screening

The SDDC has its own commercially sourced diversity library to deploy for early screening efforts in addition to strategic collaborations with external partners with larger screening capabilities. The group can also generate bespoke targeted libraries using automated parallel synthesis.

Structurally enabled targets are a core-strength of the SDDC which has the capacity and capability for:

Fragment based screening

The group has a fragment library to enabling screening in cell free assays and subsequent co-crystal generation for subsequent structural analysis

Structure guided virtual screening and CADD support

Computational Chemistry / CADD approaches using industry standard software (e.g. MOE, Schrödinger, Knime) and fully customisable workflows to enable target specific hypothesis design. Multi-faceted virtual screening is conducted using an in-house, expert-optimised library of commercially available materials (containing in excess of 1.4 million, chemically tractable, commercially reliable materials from preferred suppliers).

Computational chemistry in the SDDC directly integrates with medicinal chemistry and project leaders to provide credible and transparent CADD support throughout the discovery project lifecycle.