Ozcan, Hafize2024-06-122024-06-1220232365-6549https://doi.org/10.1002/slct.202204168https://hdl.handle.net/20.500.14551/21126Condensation 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.en10.1002/slct.202204168info:eu-repo/semantics/closedAccessFluorescenceMolecular DockingPLK-1Pyrrole Schiff BasesIminopyrrolyl LigandsSensitive DetectionChemosensorSensorComplexesLeadProteinCd(Ii)Pb(Ii)Zn2+Article811N/AWOS:0009546323000012-s2.0-85150715763Q2