Methods
- Structure determination and structural modeling of proteins, RNA, DNA and their complexes to obtain suitable templates
- In silico screening of small molecules interacting with these biomolecules
- In silico prediction of ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties of potential lead compounds
- Screening of small compound libraries (cover the structural space)
- Synthesis of relevant compounds, testing, modeling and optimization (iterative process)
- Search for new molecular scaffolds for the incorporation into drug-like molecules for genetic screening establishing of shRNA libraries, methods of delivery
- Establishing in vitro and cell-based assays to evaluate efficacy, specificity etc. (including protein engineering and cell, organ culture, animal and plant models)
- Applying unsupervised and supervised pattern recognition to automatically filtering of patterns of biological response from massive data obtained in screening
- Data driven and mechanistic modeling to understand the underlying biological mechanisms from the data and the respective patterns
- Establishing a phase I clinical trial unit for translational approaches