InhibOx Announces Important Breakthrough in Molecular Similarity: Chiral Shape Recognition (CSR)

Oxford, UK - November 2009

The quantitative measurement of molecular similarity has long been an essential tool in computer-aided drug discovery, in particular for the identification of new leads and scaffold hopping. Until now, however, there has been no fast, non-superpositional method that accounts for enantiomeric (mirror image) molecules, an essential facet of many biological interactions. InhibOx has now made an important breakthrough to meet this challenge.

Most recent molecular similarity research has focused on non-superpositional approaches, for reasons of computational efficiency. However, these fast methods cannot distinguish between enantiomers. The InhibOx breakthrough, CSR, or Chiral Shape Recognition, delivers a fast approach to molecular similarity that also distinguishes chiral molecules. The Company’s research team has demonstrated this to be superior to previously described methods. This newly-published research demonstrates our continuing commitment at InhibOx to advancing the science of computer-aided drug design:

Armstrong, M.S. et al. (2009) “Molecular similarity including chirality”, Journal of Molecular Graphics and Modelling, 28: 368-370.

To discuss the practical applications of this new method to particular research problems, please contact Dr Paul Finn.