A new palladium(II) complex with ibuprofen: Spectroscopic characterization, DFT studies, antibacterial activities and interaction with biomolecules

Author(s)

Fiori-Duarte, Ana Thereza ^{[1, 2]} ; Bergamini, Fernando R. G. ^{[1, 3]} ; de Paiva, Raphael Enoque E. ^[1] ; Manzano, Carlos M. ^[1] ; Lustri, Wilton R. ^[4] ; Corbi, Pedro P. ^[1]

Affiliation

^[1] Univ Estadual Campinas, UNICAMP, Inst Chem, POB 6154, BR-13083970 Campinas, SP - Brazil

^[2] Univ Estadual Campinas, UNICAMP, Fac Pharmaceut Sci, BR-13083871 Campinas, SP - Brazil

^[3] Fed Univ Uberlandia UFU, Inst Chem, BR-38400902 Uberlandia, MG - Brazil

^[4] Univ Araraquara UNIARA, Biol & Hlth Sci Dept, BR-14801320 Araraquara, SP - Brazil

• Document type: Journal article
• Source: Journal of Molecular Structure; v. 1186, p. 144-154, JUN 15 2019.
• Web of Science Citations: 0

Abstract

This work describes the synthesis, characterization and antibacterial activities of a palladium(II) complex with ibuprofen (ibu). Elemental and mass spectrometric data (ESI-QTOF-MS) suggest a 1:2 metal/ligand composition with the minimal formula PdC26H34O4. Infrared (IR) and nuclear magnetic resonance (NMR) spectroscopic measurements indicate ligand coordination to palladium(II) by the carboxylate group in a bidentate mode. Thermal analysis shows that decomposition of the Pd-ibu complex starts at 130 degrees C and occurs in three exothermic stages. The steps are consistent with the loss of two ibuprofen molecules, with the formation of the final residue of the thermal treatment at 850 degrees C. DFT calculations (LANL2DZ basis set), supported by the spectroscopic data, led to an optimized dimeric structure for the complex, where two palladium(II) centers are interconnected by four carboxylates in a cage-like structure. The palladium(II) complex with ibuprofen (Pd-ibu) is soluble in dimethylsulfoxide (DMSO) and hexane and is slightly soluble in ethanol and acetonitrile. The complex exhibited antibacterial activities against Grampositive (Staphylococcus aureus and Enterococcus faecalis) and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) bacterial strains, which is noteworthy in the search of new antibacterial agents. Strong interactions were evidenced with biomolecules such as deoxyribonucleic acid (DNA) and bovine serum albumin (BSA) using agarose gel electrophoresis and fluorescence assays, respectively, which suggests that such molecules are possible targets for the complex in biological medium. (C) 2019 Elsevier B.V. All rights reserved. (AU)

• FAPESP's process: 18/12062-4 - Synthesis, characterization and studies of interaction with biomolecules of metal complexes containing biologically active ligands: a strategy in the preparation of new agents with antibacterial and antiviral activities
• Grantee: Pedro Paulo Corbi
• Support Opportunities: Regular Research Grants
• FAPESP's process: 15/25114-4 - Synthesis of New Ag(I), Cu(II), Pd(II) and Pt(II) complexes based on sulfonamides and derivatives: antibacterial activities and application prospects on skin critically colonized wounds.
• Grantee: Pedro Paulo Corbi
• Support Opportunities: Regular Research Grants
• FAPESP's process: 10/00667-7 - Synthesis, characterization and pharmacological applications of new metal complexes with the anti-inflammatory Ibuprofen
• Grantee: Ana Thereza Fiori Duarte
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• FAPESP's process: 17/25995-6 - New Ag(I), Pd(II) and Pt(II) metal complexes with ligands used for the treatment of Tuberculosis: synthesis and in vitro evaluation of antimicrobial and antiproliferative activities
• Grantee: Carlos Marrote Manzano
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 15/09833-0 - Sustainable delivery system based on biocellulose/metallic complexes containing bioactive ligands
• Grantee: Wilton Rogério Lustri
• Support Opportunities: Regular Research Grants