Pyridine derivative platinum complexes: Synthesis, molecular structure, DFT and initial anticancer activity studies

Kutlu E., EMEN F. M., KISMALI G., Kinayturk N. K., Kilic D., Karacolak A. I., ...Daha Fazla

JOURNAL OF MOLECULAR STRUCTURE, cilt.1234, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1234
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.molstruc.2021.130191
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Anahtar Kelimeler: Pyridine derivative complexes, Cytotoxic effect, Cell death, Colon cancer, DLD-1, METAL-COMPLEXES, BINDING, DNA, DRUGS, MECHANISM, CHLORIDE, SPECTRA, NMR
  • Ankara Üniversitesi Adresli: Evet

Özet

Novel pyridine derivative platinum complexes with the general formula [PtCl2L2] (L-1: 2-fluoropyridine, L-2:2-amino-3-methyl pyridine) were synthesized and their structural characterizations were made using FT-IR, UV-vis, H-1 NMR, and C-13 NMR techniques as well as via the theoretical calculations. Using the DFT/MPW1PW91 method with LanL2DZ basis set the most probable molecular structure for the most stable complexes was determined. The potential energy distribution analysis was made for to confer the complexes their vibrational assignments. The molecular electrostatic potential, highest occupied molecular orbital and lowest occupied molecular orbital were also calculated. The thermal decomposition reactions of the complexes were investigated via DTA/TG combined system. The decomposition kinetics were calculated by using FWO and KAS methods. The average activation energies of the complexes were calculated to be 31.72-184.61 kJ/mol via FWO and 29.17-184.53 kJ/mol via KAS methods. The cytotoxicity of the complexes was tested against colon cancer cell line (DLD-1) and the [PtCl2L21] complex was found to be more effective than [PtCl2L22] against over 24 h incubation period. The results showed that thus synthesized pyridine-derived platinum complexes may be used as effective chemotherapeutic agents in treatment of colon cancer. (C) 2021 Elsevier B.V. All rights reserved.