Target identification and priorization


Target priorization: the assessment of protein drugability

The search for new small-molecular protein targets requires the efficient tools for distinguishing between drugable and non-drugable targets. Protein structure prediction in combination with the binding pocket analysis tools deliver structural information characterizing the potential binding sites1.

Structure-guided design of site-directed mutagenesis experiments

Site directed mutagenesis is the common tool e.g. in studying the small-molecule protein interactions. Such experiments enable the identification of particular amino acids responsible for biological function, e.g. for the ligand binding. Protein structure prediction methods can help designing such experiments, even if the resolution of the models is far from perfect, providing the insight into the structure of the ligand binding site2.
  1. Schmitt, S. et al. (2002) A new method to detect related function among proteins independent of sequence and fold homology. J. Mol. Biol. 323, 387-406
  2. Steinmetzer, K. et al. (2000) Transcriptional repressor CopR: structure model-based localization of the deoxyribonucleic acid binding motif. Proteins 38, 393-406

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