| Synthesis and Design of New Antibacterial Agents: The synthesis and design of new inhibitors of essential bacterial enzymes have been the central theme since my master's thesis and doctoral dissertation. I am intensely involved with this topic from both the perspective of designing new antibacterial agents and developing synthetic pathways for the synthesis of existing structural classes. The long-term goal is to discover a new class of agents with antibacterial activity. The main bacterial targets of my work are Mur ligases, gyrase B, and penicillin-binding proteins (PBPs). Mur ligases and PBPs are involved in the synthesis of the bacterial cell wall, while gyrase B is responsible for DNA replication.
Green Catalytic Systems and Their Use in the Synthesis of Medicinal Compounds: The aim of this topic is to develop new catalytic systems for use in chemical reactions between various Grignard reagents and appropriate bromides. Special emphasis is placed on the use of inexpensive ligands of natural origin with good catalytic efficiency and minimal toxicity to the environment and the user. For the newly developed catalytic systems, we received the Golden National and Regional Award for Innovation from the Chamber of Commerce and Industry of Slovenia (GZS) in 2016. We applied the research results in the synthesis of some impurities that occur in the synthesis of Sitagliptin (a medicinal compound for the treatment of type II diabetes). Lek uses the synthesized impurities for quality control of the production of this medicinal compound.
Neurodegenerative Diseases: In this area, we are involved in the synthesis and design of new monoamine oxidase B (MAO-B) inhibitors, which are important in the treatment of Parkinson's disease.
Molecular modeling and Machine learning
My work integrates traditional medicinal chemistry techniques with cutting-edge computational methods, including machine learning and molecular modeling. In my current role, I utilize machine learning to predict the biological activity of new compounds, optimize their pharmacokinetic properties, and identify potential drug targets. Molecular modeling allows me to visualize and simulate the interactions between drug candidates and their biological targets at the atomic level, providing invaluable insights into the mechanisms of action and helping to guide the design of more effective and selective compounds.
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