Laboratory of Chemical Synthesis
Research Services:
- Organic synthesis;
- Combinatorial synthesis;
- Custom chemical synthesis of the biologically active compounds;
- Synthesis route development and improvement.
Lead Identification and Validation
Laboratory of Computer Modeling
Research Services:
- Virtual high-throughput screening using structure-based (molecular docking) and ligand-based (QSAR, pharmacophore modeling) approaches;
- Identification and analysis of binding sites;
- Structure-activity relationship (SAR) analysis;
- Computational studies of drug-receptor interactions;
- Hit identification and optimization;
- Hit to lead optimization;
- In silico ADME predictions;
- Molecular dynamics of proteins, nucleic acids, extra large heterogeneous systems;
- Design of target-focused compound libraries with high affinity to the molecular targets (our compound collection contains about 200,000 organic compounds which are immediately available for screening).