Target Analysis
Discerning the best route to a new drug candidate can often be illuminated by building a comprehensive knowledge of a target in order to choose the best approach for a drug discovery project. Our CADD experts adopt a comprehensive target analysis approach to develop an optimal hit finding strategy and ultimately to design better, selective compounds.
Sygnature scientists are able to apply a range of computational techniques to help you gain a deep understanding of your target and to complement any biological validation. Through advanced target analysis, we can assess binding site properties, evaluate druggability, and analyse available structural data.
- Binding site identification and druggability assessment of new biological targets, including exploration of cryptic/transient binding pockets using the OpenEye Orion platform and in-house tools.
- Protein sequence analysis, multiple sequences alignments and selectivity analysis.
- Analysis of available structural data and protein structure visualisation shared with medicinal chemists to empower them to design improved compounds.
- Homology modelling for targets lacking specific structural information.
- Water assessment to understand the role of water in molecular interactions and its impact on binding affinity.
With this approach, the Sygnature Discovery CADD team performs a comprehensive target analysis approach to develop an optimal hit finding strategy for your drug discovery projects. Sygnature Discovery’s comprehensive target analysis approach to develop an optimal hit finding strategy to enhance drug discovery.