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Publications & Case Studies

  • Knowledge Management Challenges in Modern Drug Discovery

    30 November 2016. A paper authored by Dr Josep Prous, Vice President of Prous Institute for Biomedical Research, published in Japan’s CBI Journal describes the advances in information technologies which allow complex data scenarios to be analyzed, and highlights the development of predictive models which correlate the features of small molecule with properties of pharmacological interest, including therapeutic activities and toxicity endpoints.

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  • Case Study: Polypharmacology Approaches in Drug Discovery

    15 February 2015. Symmetry’s Global Mechanism of Action (GMoA) model provides decision support in the multi-target approach to deliberately combine in a single molecule scaffolds related to different therapeutic targets. This case study is performed with molecules reported in a recent paper describing the first compound exhibiting gamma-Secretase modulation, PPARgamma agonism and 5-LOX inhibition for the potential treatment of Alzheimer’s disease.

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  • Case Study: Off-Target Assessment for Beta-Secretase 1 Inhibitors Optimization

    15 January 2015. Symmetry’s Global Mechanism of Action (GMoA) model helps anticipate potential off-target safety liabilities of new structures early in drug discovery. This case study is performed with molecules reported in a recent paper describing the optimization of compounds for the potential treatment of Alzheimer ’s disease, minimizing cardiovascular liabilities (hERG channel blockade).

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