Facilitating efficient search for lead compounds of future drugs

Lead compounds are the first milestones on the long path towards discovery and design of new drugs. In close collaboration with Earlham Institute , UK, we have developed the Lead Structure Search Portal, in order to streamline the task of seeking new, interesting lead structures. A well-managed, straightforward process of acquiring such chemical compounds is the cornerstone of this branch of modern pharmacology.

The service's efficient and clear UI design, created from scratch, enables users to conduct a series of advanced chemical analyses. The system integrates a set of computational chemistry methods, including popular open-source molecular chemistry packages as well as EI's properietary homegrown algorithms. LSSP can interface, in an automated way, popular large-scale chemical compound repositories: ChEBI, RCSB PDB and UniProt. Users are also able to import their own ligand libraries into the system.

The LSSP platform is currently an internal EI tool and, as such, is not made available to the public.