WP3 Equipment

Objectives

WP Leader Dr.Osvalds Pugovics

- Acquisition of modern equipment and tools necessary for innovative drug development ,
- Upgrading the research equipment

Acquired equipment

Acquired instruments

1. Fluorescence Emission Computed Tomography system with in-line microCT, InSyTe FLECT/CT - TriFoil Imaging

Dr.med. Līga Zvejniece un Dr.pharm. Jānis Kūka, Laboratory of Pharmaceutical Pharmacology of LIOS:

"Our laboratory is interested in mechanisms behind the action of novel cardioprotective, neuroprotective and anti-atherosclerotic compounds as well as pathogenesis of ischemia-reperfusion injury, local inflammation and atherosclerosis. With InSyTe FLECT/CT 360º system we will be able to study true anatomical displacement of small animals and accurately measure fluorophore concentrations throughout the region of interest. We can monitor progression of atherosclerosis in aorta, ischemia-reperfusion or traumatic injury in the brain, permeability of vasculature and inflammation. In addition, we can evaluate the efficacy of the treatment when studying novel compounds.

InSyTe FLECT/CT system could be used also by other laboratories/groups of LIOS that are or will be interested in studying angiogenesis, apoptosis, cancer or infectious diseases."

Press release:

http://www.prlog.org/12450176-latvian-institute-of-organic-synthesis-installs-insyte-flectct-preclinical-imaging-system.html

JoAnn Zhang, Ph.D, TrifoilImaging inc., Chief Scientist, USA; Dr. Pharm. Janis Kuka, Laboratory of Pharmaceutical Pharmacology, Latvian Institute of Organic Synthesis.


2. Crystallization robot for protein crystallization screening

Dr.chem. Kristaps Jaudzems, Laboratory of Physical Organic Chemistry of LIOS:

“Our goal is to establish a platform for structure-based drug design at LIOS. This includes an automated pipeline for fragment screening by NMR and SPR to generate initial hits as well as high throughput protein crystallography to obtain structural information of protein-inhibitor complexes. The acquired Tecan Freedom EVO 100 liquid handling robot is used to prepare NMR samples and SPR microplates for fragment screening as well as protein crystallization screening plates. This has allowed us to boost our throughput in the search for novel inhibitor scaffolds and to advance the hit-to-lead optimization process to a new level that includes structure-based design of optimized inhibitors.”

In photo: assistent Rihards Aleksis operating the new equipment.


3. Zetasizer Nano ZSP – Malvern Instruments

 

Dr.chem. Karlis Pajuste, Laboratory of Membrane Active Compounds of LIOS:

„The interests of our group are focused on the synthesis of synthetic lipids and studies of their physico-chemical properties. One of the main tasks is to clarify the influence of a change of chemical structure of synthetic lipids on the physical parameters of nanoaggregates formed by them. Since we have new nanosizer we can obtain more information about physical properties of nanoaggregates (sizes, surface charge, stability etc) in the solution.

Use of the new nanosizer is not restricted only by studies of synthetic lipids or other nanoparticles, it also will be used for studies of nanocatalysts or proteins, which are objects of studies by other laboratories and groups of LIOS.”

 


4. Computer cluster for molecular modeling purposes

Recruited researchers Dr.chem. Aleksandrs Gutcaits and PhD Zigmantas Toleikis (in photo):

“Acquisition of the hybrid CPU-GPU computer cluster is in line with our goal to establish a platform for structure-based drug design at LIOS. In parallel to experimental approaches we are using virtual screening of large compound libraries as well as pharmacophore and QSAR modeling to discover novel inhibitors. The cluster also allows us to perform large-scale molecular dynamics simulations of protein-inhibitor complexes to account for protein mobility during the design of optimized structures.
Additionally, the computer cluster is used by our chemists to perform quantum mechanical calculations of chemical reactions and reaction products. This has enabled detailed studies of the reaction mechanisms and prediction of product physico-chemical properties."


5. Light microscope for crystals assessment


Dr.phys. Anatolijs Misnovs, Laboratory of Physical Organic Chemistry of LIOS:

X-Ray single crystal diffraction study of a macromolecule or an active pharmaceutic ingredient provides a posibility to see the atomic three-dimentional structures and packaging of the molecules in the crystal. For theses investigations are necessary high quality crystals with the appropriate size. The acquired  Leica M125 Stereomicroscope allows us to assess the quality and suitability of crystals, grown by means of crystallization robotic system or manually for X-ray investigation. The microscope is also equiped with a rotable polarizing filter and a polarizing plate that permits us to detect twinned crystals and to distingwish different crystalline polymorphic forms in the batch sample.

In photo:
M.Sc. student Arturs Janicevs in the work with new microscope.