Synthesis, characterization, crystal structure, biological activities, and molecular docking study of the (NHC)Pd(II)(Morp) (NHC: N-heterocyclic carbene, Morp: Morpholine) complexes
Küçük Resim Yok
Tarih
2024
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Pergamon-Elsevier Science Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In this paper, a new palladium -based (NHC)Pd(II)(Morp) complexes (NHC: N -heterocyclic carbene, Morp: morpholine) were prepared. The NHC ligand in these complexes bears the 2-chloro-4-fluorobenzyl group. All complexes were fully characterized by 1 H, 13 C NMR, FTIR spectroscopic and elemental analysis methods. The crystal structure of complex 1f has been determined by using single-crystal X-ray diffraction. Furthermore, all complexes were investigated for their ability to inhibit enzymes. All complexes exhibited highly potent inhibition effects on acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes (K i values are in the range of 97.84 +/- 8.97 to 132.28 +/- 11.63 mu M and 18.24 +/- 2.08 to 39.08 +/- 5.28 mu M for AChE and BChE, respectively). Designing of reported complexes is impacted by molecular docking study, because with molecular docking study, it will lead to future researches by illuminating the interaction mechanism of complexes 1a , 1b , 1c and 1f with potential activity against target AChE and BChE enzymes at molecuar level.
Açıklama
Anahtar Kelimeler
Acetylcolineesterase, Butylcolineesterace, Crystal structure, Molecular docking, N -heterocyclic carbene
Kaynak
Polyhedron
WoS Q Değeri
N/A
Scopus Q Değeri
Q2
Cilt
257
