Computer-Aided Molecular Design
Target-structure analysis, molecular docking, virtual screening, molecular dynamics and SAR analysis.
We are open to collaboration in joint research and applied projects, spanning computational modeling, analytical studies, and hypothesis testing to the publication of findings, joint grant applications, and product development.
Methods and Approaches
Synthesis and Optimization
Design and synthesis of analogue series and targeted structural modification to improve potency and selectivity.
Biochemical Testing
Primary screening, activity determination and comparison of structural classes in enzyme-based assays.
Collaborative Validation
Transfer of the most promising compounds to partner groups for cell-based and advanced biological studies.
Principal Classes of CK2 Inhibitors Developed
01→02→03→04→
Aurones
Preparation of analogues and systematic improvement of potency, selectivity and physicochemical properties.
1,3-Thiazole-5-carboxylates
Biochemical evaluation and interpretation of structure–activity relationships.
4-Aminothieno[2,3-d]pyrimidines
We develop low-molecular-weight inhibitors by combining molecular modeling, organic synthesis, SAR analysis and biochemical testing.
2-Aminopyrimidinones and 6-Aza Analogues
We are open to collaboration in joint research and applied projects, spanning computational modeling, analytical studies, and hypothesis testing to the publication of findings, joint grant applications, and product development.
Research Team
Preparation of analogues and systematic improvement of potency, selectivity and physicochemical properties.
→Publications
Results from our CK2 inhibitor research are presented in the Department’s selected publications.
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