The Team of Molecular and Cellular Biology,

headed by Dr. Jurgita Matulienė (Ph. D. in cell biology from the University of Minnesota, USA, 2003) produces drug target proteins by gene cloning, expression in E.coli, insect, or mammalian cells, and chromatografic purification of large quantities of active proteins sufficient for biothermodynamic measurements of binding chemical compounds. Several projects involve the design of protein domain constructs. Live human cancer cells are cultured for the evaluation of compound anticancer activity.

The Team of Organic Synthesis,

headed by Dr. Virginija Dudutienė (Ph. D. in organic synthesis from the Vilnius University, 2005) synthesizes compounds that are designed to bind drug target proteins. Compounds are designed by computer docking, molecular modelling, and comparison with naturally occurring or previously synthesized compound functional groups. The special interest and capabilities of the group are in the field of synthesis of compounds with multiple conjugated aromatic heterocycles.

The Team of Biophysics,

headed by Dr. Daumantas Matulis (Ph. D. in biochemistry, molecular biology and biophysics from the University of Minnesota, USA, 1998) measures compound/ligand binding to target proteins by isothermal titration calorimetry (ITC), thermal shift assay (ThermoFluor^®), and pressure shift assay (PSA). The team performs the characterization of protein stability in the presence of various excipients and the measurement of enzymatic activity.

The Team of Molecular Modelling,

is responsible for the in silico docking of large compound libraries and the analysis of X-ray crystal structures of synthetic compound – protein complexes solved in collaboration with Dr. Saulius Gražulis group in the Laboratory of Protein – DNA interactions. Molecular modeling of candidate compounds often predicts novel compounds with improved binding capabilities. The group, together with several collaborating scientists is developing the software that estimates the energetics of ligand binding to a protein when only the crystal structure of free protein is available.

The Team of Industrial Biotechnology,

headed by Inga Matijošytė (Ph. D. in biochemistry and biocatalysis from Delft University, The Netherlands, 2008), established in 2007 in conjunction with the start of the Program on the Development of Industrial Biotechnology in Lithuania, applies enzymes as biocatalysts in organic synthesis to achieve desired conversions. Team’s research is directed towards the search for enzymes with new functionalities and their development towards applied biocatalysts.

Collaborations

The DBDD has ongoing collaborations with a number of research laboratories and industry worldwide, including:

• Institute of Medical Technology, University of Tampere, Finland.
  University of Florence, Italy.
  International Institute of Molecular and Cell Biology, Warsaw, Poland.
  Pharmaceutical Research and Development, L.L.C., Johnson&Johnson, USA.
  Centre for Structural Biochemistry, Montpellier, France.
  Institute of Organic Synthesis, Riga, Latvia.
  Institute of Organic Chemistry, University of Tubingen, Germany.
  Chemistry Centre of Madeira, University of Madeira, Portugal.
  Cancer Research Centre, University of Edinburgh, UK.
  University of Bristol, UK.
  Delft University of Technology, Netherlands.
  Faculty of Chemistry, Vilnius University, Lithuania.
  Faculty of Natural Sciences, Vilnius University, Lithuania.
  Institute of Biochemistry, Vilnius, Lithuania.
  Lithuanian University of Agriculture, Kaunas, Lithuania.
  AB “Amilina”, Panevėžys, Lithuania.
  UAB „BIOK“, Vilnius, Lithuania.
  UAB „Biocentras“, Vilnius, Lithuania.
  Nature Research Centre, Institute of Botany, Vilnius, Lithuania