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- Title
Water‐Soluble μ‐oxo triruthenium Compound of Biological Interest: H‐Bonds Network and Interaction with HSA.
- Authors
Pinheiro, Bruno F. A.; Fernandes, Nathan C.; Chaves, Otávio A.; Ellena, Javier A.; De Queiroz, Mariana S.; Tedesco, Antônio C.; De Araujo‐Neto, João H.; Nikolaou, Sofia
- Abstract
The water‐soluble compound [Ru3O(CH3COO)6(4‐ampy)3]Cl (1, 4‐ampy=4‐aminopyridine) was evaluated in terms of its biologically relevant properties. Compound 1 participates in a hydrogen bonding network which includes the NH2 substituents of the ancillary ligands, methanol molecules, the Cl− counter‐ion, and a non‐conventional hydrogen bond with the neighboring 4‐ampy molecules′ π‐cloud, as determined by X‐ray measurements. One protonation equilibrium was observed at pH values below 2.3. Additionally, the compound exhibited a partition coefficient value of −0.86 (±0.07), indicating that it is highly hydrophilic. At 37 0C and pH=7.4 (phosphate buffer), compound 1 shows moderate (Ksv=2.4 104 M−1) and spontaneous (ΔG=−26.4 kJ mol−1) binding to human serum albumin (HSA) through ground‐state association, which involves formation of hydrogen bonds (ΔH=−35.7 kJ mol−1 and, ΔS=−29.8 J mol−1 K−1). Molecular docking calculations support the formation of hydrogen bonds between 1 and HSA, and suggest subdomain IIA (site I), which contains the Trp‐214 residue, as the primary interactive pocket, in agreement with the experimental static fluorescence quenching mechanism. Furthermore, a preliminary assay reveals that 1 has low cytotoxicity towards human glioblastoma U87‐MG cells.
- Subjects
HYDROPHILIC compounds; HYDROGEN bonding; FLUORESCENCE quenching; SERUM albumin; CYTOTOXINS
- Publication
European Journal of Inorganic Chemistry, 2024, Vol 27, Issue 13, p1
- ISSN
1434-1948
- Publication type
Article
- DOI
10.1002/ejic.202300617