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Research Group
CHEMICAL EQUILIBRIA
dr. Tatjana Verbić, associate professor

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Research Area

1. Physicochemical profiling and study of various types of ionic equilibria

Physicochemical profiling and study of various types of ionic equilibria of biologically active compounds are crucial in an early phase of the drug research and in prediction of pharmacokinetic and pharmacodynamic compound properties. This research includes studies of ionization, solubility, lipophilicity, permeability of the drug candidates, as well as protein-compound interactions and determination of various kinds of equilibrium constants. With the estimation that about 1/3 of the molecules rejected during the preclinical drug development are rejected due to ADME (absorption, distribution, metabolism, excretion) problems closely related to compound physico-chemical properties, the great importance of this type of research was recognized.

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2. Molecularly imprinted polymers: preparation, characterization, and application

Functional materials like molecularly imprinted polymers (MIPs) can be applied in various areas of chemistry and chemical technology. MIPs can be used as a solid-phase extraction sorbents, chromatographic stationary phase, in sensors, as artificial enzymes, microreactors, for controlled drug release and delivery. Group research is oriented towards preparation of MIPs imprinted by 'difficult' molecules as steroids, also towards chiral MIPs, polymers that can be used as sorbents in solid-phase extraction or chromatography.

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3. Application of chemoinformatics in medicinal chemistry, food chemistry, and materials chemistry

Quantum-chemical calculations are applied to predict different physicochemical properties of bioactive compounds and functional materials. Studying protein-ligand interactions, mechanisms of action of natural and synthetic compounds and their ADMET properties can be elucidated. This is furthter utilized in the design of novel structures with the improved drug-likeness.

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The Equipment Used in Research

Publications

  1. M. P. Pešić, M. D. Todorov, G. Becskereky, G. Horvai, T. Ž. Verbić, B. Toth, Talanta 217 (2020) 121075.
  2. O. S. Marković, M. P. Pešić, A. V. Shah, A. T. M. Serajuddin, T. Ž. Verbić, A. Avdeef, Eur. J. Pharm. Sci. 133 (2019) 264-274.
  3. O. S. Marković, I. N. Cvijetić, M. V. Zlatović, I. M. Opsenica, J. M. Konstantinović, N. V. Terzić Jovanović, B. A. Šolaja, T. Ž. Verbić, Spectrochim. Acta A 192 (2018) 128-139.
  4. I. N. Cvijetić, T. Ž. Verbić, P. Ernesto de Resende, P. Stapleton, S. Gibbons, I. O. Juranić, B. J. Drakulić, M. Zloh, Eur. J. Med. Chem. 143 (2018) 1474-1488.
  5. A. Avdeef, E. Fuguet, A. Llinàs, C. Ràfols, E. Bosch, G. Völgyi, T. Verbić, E. Boldyreva, K. Takács-Novák, Equilibrium solubility measurement of ionizable drugs - consensus recommendations for improving data quality, White paper, ADMET&DMPK 4 (2016) 112-178.

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