Group of coordination and bioinorganic chemistry

Group members

doc. RNDr. Erik Rakovský, PhD. (ORCID)

doc. Svitlana Vitushkina, CSc. (ORCID)

RNDr. Marcel Zámocký, PhD., DrSc. (ORCID)

RNDr. Jana Chrappová, PhD. (ORCID)

Mgr. Natalia Lucia Miklášová, PhD. (ORCID)

MSc. Lenin Thulluvan Valappil (ORCID)

 

About the group

The group of coordination and bioinorganic chemistry focuses on the research of transition metal complexes and their interactions in living organisms. Our main research interest are chiral transition metal complexes which, under physiological conditions, have multiple oxidation states available, thus opening possibilities for their use as mimetics of oxidoreductases, while chirality can influence their interaction with target molecules. These compounds, for example aminoacidates of Cu(II), can cause oxidative DNA damage, allowing their use as cytostatics, while the organism's ability to regulate Cu levels leads to reduced toxicity compared to already established drugs, for example those based on platinum complexes. Other enzymomimetic activities of prepared compounds are also of interest, with prospects for their use in catalytic processes, magnetic properties, or interaction of prepared compounds with target biological molecules (DNA, serum albumin, peroxidases) and their cytotoxicity or antimicrobial properties. We also use these results in the study of the structure, function and diversity of metalloproteins , especially metalloenzymes containing transition metal ions in their active centres.

The laboratory of structural crystallography equipped for studying crystal structures at ultra-low temperatures (down to 28 K) is a part of the group. Dr. Rakovský is dedicated to the application of quantum crystallographic methods for describing crystal structures and for describing the structure-reactivity relationships of prepared compounds.

 

For prospective students

We offer topics for bachelor's and master's theses focusing on the synthesis and characterization of several groups of coordination compounds. For the characterization of prepared substances, vibrational (FTIR + Raman) spectroscopy and structural crystallography methods based on X-ray diffraction are primarily used.

When investigating enzymomimetic processes, we use chemical kinetics methods based on spectral (UV-vis) or electrochemical measurements. Redox properties are studied by electrochemical methods (cyclic voltammetry) or their combination with UV-vis-NIR spectroscopy (spectroelectrochemistry).

Interaction of prepared compounds with target biomacromolecules (DNA, serum albumin, peroxidases) is studied by electron spectroscopy (UV-vis, spectrofluorimetry), electrochemistry or by a combination of the above mentioned methods. Within bioinorganic chemistry, reactivity and interactions of various groups of selected metalloenzymes, especially enzymatic antioxidants, will also be studied by electrochemical and spectroscopic methods.

In the study of magnetic properties of the studied molecules in solution, we use their paramagnetic effects in NMR spectrometry.

Some of the topics for final theses are also suitable for students of pedagogical combinations.

 

Granted scientific project

VEGA 1/0574/26 Transition metal amino acidates – relationship between chirality and biological properties.

 

Selected publications

(1) Rakovský, E.; Valappil, L. T.; Pateda, Y. R.; Bartošová, L.; Chrappová, J. Bis{2-[Bis(2-Hydroxyethyl)Amino]Acetato}zinc(II) Monohydrate. IUCrData 2025, 10 (4), x251003. https://doi.org/10.1107/S241431462501003X.

(2) Impert, O.; Czerniecka, N.; Balińska, N.; Kubiak, B.; Kozakiewicz-Piekarz, A.; Pryshchepa, O.; Pomastowski, P.; Ehlert, M.; Witwicki, M.; Pateda, Y. R.; Rakovský, E.; Katafias, A.; van Eldik, R. Nanoscale Ruthenium(III) Complexes with Bioactive Ligands: Structural, Colloidal, and Dual Antimicrobial-Cytotoxic Investigations. Dalt. Trans. 2025, 54 (38), 14304–14321. https://doi.org/10.1039/d5dt01857a.

(3) Chrappová, J.; Pateda, Y. R.; Bartošová, L.; Rakovský, E. Investigating the Formation of Different (NH₄)₂[M(H₂O)₅(NH₃CH₂CH₂COO)]₂[V₁₀O₂₈].nH₂O (M = Co(II), Ni(II), Zn(II), n = 4; M = Cd(II), Mn(II), n = 2) Crystallohydrates. Crystals 2024, 14 (8), 685. https://doi.org/10.3390/cryst14080685.

(4) Chrappová, J.; Pateda, Y. R.; Rakovský, E. Synthesis and Crystal Structure Analysis of NH₄[Zn(cma)(H₂O)₂]·H₂O Using IAM and HAR Approaches. J. Chem. Crystallogr. 2023, 53 (2), 228–235. https://doi.org/10.1007/s10870-022-00961-1.

(5) Leskovská, J.; Miklášová, N.; Kubelac, P. M.; Achimaş-Cadariu, P.; Valentová, J.; Markuliak, M.; Fischer-Fodor, E., Antiproliferative Ruthenium Complexes Containing Curcuminoid Ligands Tested In Vitro on Human Ovarian Tumor Cell Line A2780, towards Their Capability to Modulate the NF-κBTranscription Factor, FGF-2 Growth Factor, and MMP-9 Pathway. Molecules 2022,  27(14), Article number 4565. https://doi.org/10.3390/molecules27144565.

(6) Miklášová, N.; Herich, P.; Dávila-Becerril, J. C.; Barroso-Flores, J.; Fischer-Fodor, E.; Valentová, J.; Leskovská, J.; Kožíšek, J.; Takáč, P.; Mojžiš, J., Evaluation of antiproliferative palladium(II) complexes of synthetic bisdemethoxycurcumin towards in vitro cytotoxicity and molecular docking on DNA sequence. Molecules 2021, 26(14), Article number 4369. https://doi.org/10.3390/molecules26144369.

(7) Fischer-Fodor, E., Mikláš, R., Rišiaňová L., Cenariu M., Gşrosu I.-G., Virag P., Perde Schrepler M., Tomuleasa C., Berindan-Neagoe I., Devínsky, F., Miklášová, N., Novel palladium(II) complexes that influence prominin-1/CD133 expression and stem cell factor release in tumor cells, Molecules 2017, 22(4), Article number 561. https://doi.org/10.3390/molecules22040561.

(8) Beyrati, M.; Forutan, M.; Hasaninejad, A.; Rakovský, E.; Babaei, S.; Maryamabadi, A.; Mohebbi, G. One-Pot, Four-Component Synthesis of Spiroindoloquinazoline Derivatives as Phospholipase Inhibitors. Tetrahedron 2017, 73 (34), 5144–5152. https://doi.org/10.1016/j.tet.2017.07.005.

(9) Zámocký, M., Kubala, B., Zámocká, B., Kronek, J., Hollmann, F. Molecular diversity of unspecific heme peroxygenases with promising applications in sustainable oxyfunctionalizations. Inter. J. Biol. Macromol. 2025, 329, 147823. https://doi.org/10.1016/j.ijbiomac.2025.147823

(10) Zámocký, M., Harichová, J. Evolution of heme peroxygenases: ancient roots and later evolved branches. Antioxidants 2022, 11, 1011. https://doi.org/10.3390/antiox11051011

https://doi.org/10.3390/antiox11051011