Semnan University Press Applied Chemistry Today 2981-2437 18 68 2023 09 23 Synthesis and characterization of cyclometalated Pd(II) complex bearing tyrosine: Experimental and theoretical study of interaction with biomacromolecules Synthesis and characterization of cyclometalated Pd(II) complex bearing tyrosine: Experimental and theoretical study of interaction with biomacromolecules 217 234 7983 10.22075/chem.2023.30417.2176 FA Sedigheh Abedanzadeh Faculty of Chemistry. Kharazmi University. Tehran. Iran 0000-0001-5415-3668 Mahsa Khaghani Azar Faculty of Chemistry. Kharazmi University. Tehran. Iran Bagher Davaeil Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran Journal Article 2023 05 17 ABSTRACT<br />Considering the important role of bioactive ligands in designing antitumor complexes, mononuclear C^C-cyclometalated Pd (II) complex containing amino acid, tyrosine, was synthesized and identified using Fourier-transform infrared (FT-IR) and nuclear magnetic resonance (NMR) spectroscopic methods. The interaction of the synthesized mononuclear complex with the biomacromolecules, deoxyribonucleic acid (DNA) and bovine serum albumin (BSA), was studied by UV-Vis absorption and fluorescence emission. Based on the experimental studies, an intercalating mode was proposed for the interaction between the complex and DNA. The UV-Vis absorption and fluorescence emission spectroscopies indicated the high affinity of the complex for BSA binding. Molecular docking calculations revealed that the hydrophobic interactions play important roles in complex – BSA binding. ABSTRACT<br />Considering the important role of bioactive ligands in designing antitumor complexes, mononuclear C^C-cyclometalated Pd (II) complex containing amino acid, tyrosine, was synthesized and identified using Fourier-transform infrared (FT-IR) and nuclear magnetic resonance (NMR) spectroscopic methods. The interaction of the synthesized mononuclear complex with the biomacromolecules, deoxyribonucleic acid (DNA) and bovine serum albumin (BSA), was studied by UV-Vis absorption and fluorescence emission. Based on the experimental studies, an intercalating mode was proposed for the interaction between the complex and DNA. The UV-Vis absorption and fluorescence emission spectroscopies indicated the high affinity of the complex for BSA binding. Molecular docking calculations revealed that the hydrophobic interactions play important roles in complex – BSA binding. https://chemistry.semnan.ac.ir/article_7983_6e4621af9a4da94a7c85d7ecd19b1271.pdf