2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (391-394)
АУТОР(И) / AUTHOR(S): Marta Kosanović, Thomas Eichhorn, Dejan Milenković, Goran Kaluđerović, Jasmina Dimitrić Marković, Dušan Dimić
Е-АДРЕСА / E-MAIL: 20220205@student.ffh.bg.ac.rs
DOI: 10.46793/ICCBI23.391K
САЖЕТАК / ABSTRACT:
Ruthenium(II) complexes have become increasingly recognized and utilized as potent anticancer agents in recent years. These compounds possess unique capabilities in targeting cancer cells and interfering with vital cellular processes, offering new hope in the relentless battle against cancer. This research study focuses on the characterization of a newly synthesized Ru(II)-naphthylhydrazine complex by IR and NMR spectroscopies. NMR spectral data have revealed the presence of different chemical environments within 1 based on the chemical shifts observed in the 1H and 13C NMR spectra. The infrared spectra were recorded in the region ranging from 400 cm-1 to 4000 cm-1 , capturing a comprehensive range of vibrational modes of the studied compound with the main chemical groups outlined. The quantum-chemical optimization of 1 at B3LYP/6-31+G(d,p)(H,C,N,Cl)/LanL2DZ(Ru) level of theory allowed the prediction of structural parameters and analysis of intramolecular interactions governing stability through Natural Bond Orbital approach. The future biological investigation of this compound is advised.
КЉУЧНЕ РЕЧИ / KEYWORDS:
Ru(II), DFT, IR, NMR
ЛИТЕРАТУРА / REFERENCES:
- L. Zeng, P. Gupta, Y. Chen, E. Wang, L. Ji, H. Chao, and Z.S. Chen, The development of anticancer ruthenium(ii) complexes: from single molecule compounds to nanomaterials, Chemical Society Reviews, 46 (2017), 5771–5804.
- K. Lin, Z.Z. Zhao, H.B. Bo, X.J. Hao and J.Q. Wang, Applications of Ruthenium Complex in Tumor Diagnosis and Therapy, Frontiers in Pharmacology, 9 (2018), 1323.
- A.R. Simović, R. Masnikosa, I. Bratsos, and E. Alessio, Chemistry and reactivity of ruthenium(II) complexes: DNA/protein binding mode and anticancer activity are related to the complex structure, Coordination Chemistry Reviews, 398 (2019), 113011.
- E. Alessio, and L. Messori, NAMI-A and KP1019/1339, Two Iconic Ruthenium Anticancer Drug Candidates Face-to-Face: A Case Story in Medicinal Inorganic Chemistry, Molecules, 24 (2019), 1995.