Promoting antihepatocellular carcinoma activity against human HepG2 cells via pyridine substituted palladium complexes: in vitro evaluation and QSAR studies.

Autor: Meral Ö; Department of Biochemistry, Faculty of Veterinary Medicine, Ankara University, Ankara, Turkey., Emen FM; Department of Chemistry, Faculty of Arts and Sciences, Burdur Mehmet Akif Ersoy University, Burdur, Turkey., Kutlu E; Department of Chemistry, Faculty of Arts and Sciences, Burdur Mehmet Akif Ersoy University, Burdur, Turkey., Demirdöğen RE; Department of Chemistry, Faculty of Science, Çankırı Karatekin University, Çankırı, Turkey., Kaya Kinaytürk N; Department of Nanoscience and Nanotechnology, Faculty of Arts and Sciences, Burdur Mehmet Akif Ersoy University, Burdur, Turkey., Kismali G; Department of Biochemistry, Faculty of Veterinary Medicine, Ankara University, Ankara, Turkey., Doğan Ş; Department of Nursing, Faculty of Health Sciences, Burdur Mehmet Akif Ersoy University, Burdur, Turkey.
Jazyk: angličtina
Zdroj: Turkish journal of chemistry [Turk J Chem] 2023 Jan 04; Vol. 47 (1), pp. 280-293. Date of Electronic Publication: 2023 Jan 04 (Print Publication: 2023).
DOI: 10.55730/1300-0527.3536
Abstrakt: Bis(4-(4-nitrobenzyl)pyridine)dichloropalladium(II), [PdCl 2 L 1 2 ], bis(2-amino-5-bromopyridine)dichloropalladium(II), [PdCl 2 L 2 2 ], bis(2,4-dimethylpyridine)dichloropalladium(II), [PdCl 2 L 3 2 ], bis(3,4-dimethylpyridine)dichloropalladium(II), [PdCl 2 L 4 2 ] were prepared. The spectroscopic techniques (FT-IR and 1 H-NMR, 13 C-NMR) were used to characterize the compounds. Theoretical calculations were used to validate the experimental results. The LanL2DZ-based DFT/B3LYP method was used to define the most stable possible molecular structure for the complexes. Potential energy distribution analysis was performed to determine the theoretical vibration bands of the complexes. Molecular electrostatic potential maps, boundary molecular orbitals and Mulliken charge distribution were used to determine the active sites of the molecules. The interaction mechanisms between the complexes and liver cancer protein were investigated via molecular docking. The study on the antiproliferative effects of these complexes on hepatocellular carcinoma cells (HepG2) showed that they are potent candidates for use against this liver cancer cell line.
Competing Interests: Conflict of interest The authors declare no conflict of interest.
(© TÜBİTAK.)
Databáze: MEDLINE
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