Pyrrole-Based Schiff-Bases: Synthesis, Fluorescent Properties, Molecular Docking and in silico ADME/Tox Profiling Studies
Küçük Resim Yok
Tarih
2023
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Wiley-V C H Verlag Gmbh
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Condensation reactions of methyl 5-formyl-1H-pyrrole-2-carboxylate with 4-aminobenzonitrile and N, N-dimethyl-p-phenylenediamine yielded two conjugated Schiff bases with pyrrole rings. Fluorescence spectroscopy was used to examine the molecules ' selectivity for different metal salts, and it was discovered that the PL1 molecule was selective for the Pb2+ ion. In addition, the interactions of the same molecules with the polo-like kinase 1 (PLK1) enzyme were investigated by molecular docking with the Autock Tools 1.5.6 program, and the synthesized Schiff bases formed stable complexes with the PLK1 with binding affinity values of -6.5 and -6.4 kcal/mol for PL1 and PL2 respectively. The SwissADME and ADMET web tools were used to calculate in silico ADME/Tox profiles of the synthesized molecules.
Açıklama
Anahtar Kelimeler
Fluorescence, Molecular Docking, PLK-1, Pyrrole Schiff Bases, Iminopyrrolyl Ligands, Sensitive Detection, Chemosensor, Sensor, Complexes, Lead, Protein, Cd(Ii), Pb(Ii), Zn2+
Kaynak
Chemistryselect
WoS Q Değeri
N/A
Scopus Q Değeri
Q2
Cilt
8
Sayı
11
