New palladium complexes withN‐heterocyclic carbeneand morpholine ligands: Synthesis, characterization,crystal structure, molecular docking, and biological activities


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Behçet A., Taslimi P., Şen Yüksel B., Taşkın Tok T., Aktaş A., Gök Y., ...Daha Fazla

JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY, sa.e23554, ss.23554-23570, 2023 (SCI-Expanded)

  • Yayın Türü: Makale / Tam Makale
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1002/jbt.23554
  • Dergi Adı: JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Applied Science & Technology Source, BIOSIS, Biotechnology Research Abstracts, Chemical Abstracts Core, Environment Index, Food Science & Technology Abstracts, MEDLINE
  • Sayfa Sayıları: ss.23554-23570
  • Dokuz Eylül Üniversitesi Adresli: Evet

Özet

This work includes the synthesis of a new series of palladium‐based complexescontaining both morpholine andN‐heterocyclic carbene (NHC) ligands. The newcomplexes were characterized using NMR (1Hand13C), FTIR spectroscopic, andelemental analysis techniques. The crystal structure of complex1bwas obtained byutilizing the single‐crystal X‐ray diffraction method. X‐ray studies show that thecoordination environment of palladium atom is completed by the carbene carbonatom of the NHC ligand, the nitrogen atom of the morpholine ring, and a pair ofbromide ligand, resulting in the formation of slightly distorted square planar geometry.All complexes were determined for some metabolic enzyme activities. Resultsindicated that all the synthetic complexes exhibited powerful inhibitory actions againstall aims as compared to the control molecules. Kivalues of new morpholine‐ligandedcomplexes bearing 4‐hydroxyphenylethyl group1a‐efor hCA I, hCA II, AChE, BChE,andα‐glycosidase enzymes were obtained in the ranges 0.93–2.14, 1.01–2.03,4.58–10.27, 7.02–13.75, and 73.86–102.65 μM, respectively. Designing of reportedcomplexes is impacted by molecular docking study, and interaction with the currentenzymes also proclaimed that compounds1e(–12.25 kcal/mol for AChE and–11.63 kcal/mol for BChE),1c(–10.77 kcal/mol and–9.26 kcal/mol forα‐Gly andhCA II, respectively), and1a(–8.31 kcal/mol for hCA I) are showing binding affinityand interaction from the synthesized five novel complexes.