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