A Review of MED-SuMo Applications
A recent review article, that I probably spent a few too many hours working on, is now on its way to the presses...
The flagship technology at MEDIT is MED-SuMo. This technology is deployed in some of the world's major pharmaceutical companies, and several biotech companies (of course, we would prefer to license more copies!). Published applications of this technology are reviewed in this article in Infectious Disorders - Drug Targets, formerly known as, "Current Drug Targets - Infectious Disorders".
MED-SuMo rapidly compares local regions on protein surfaces, in terms of putative chemical interactions, for discovering and characterising similarities. We have recently extended MED-SuMo and built complementary external tools so MED-SuMo can be applied for fragment-based drug discovery.
I don't actually have the correct citation yet, but the abstract is as follows:
A Review of MED-SuMo Applications
Olivia Doppelt-Azeroual, Fabrice Moriaud, Stewart A. Adcock and François Delfaud
Resolved three-dimensional protein structures are a major source of information for understanding protein functional properties. The current explosive growth of publicly available protein structures is producing large volumes of data for computational modelling and drug design methods. Target-based in silico drug design tools aid design and optimize compounds to bind to specific targets. MED-SuMo is a powerful technology for comparing local regions on protein surfaces, allowing similarities to be discovered and explored. This is a target-based tool that can exploit all available macromolecule structures. Its computational efficiency differentiates its approach from widely used methods such as docking and scoring, or map-based methods. As a result, MED-SuMo contributes to a large variety of real-world drug discovery applications. We review specific applications where MED-SuMo performed a significant role. These examples include functional annotation, pocket profiling, structural superposition, and functional binding site classification. We also review cases where MED-SuMo provided an innovative solution to frequent undertakings of the medicinal chemist and molecular modeller during lead discovery and lead optimization. These further cases include drug repurposing and fragment-based drug design.
Update 2009/06/03: This paper is now publicly available and the full citation is: Olivia Doppelt-Azeroual, Fabrice Moriaud, Stewart A. Adcock and François Delfaud, "A Review of MED-SuMo Applications", Infectious Disorders – Drug Targets, 9(3):344-357 (2009).
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