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. A comprehensive target analysis allows our experts to adopt 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.
- Binding site identification and druggability assessment of new biological targets, including exploration of cryptic/transient binding pockets via SILCSBio Fragmaps.
- 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.