Publication Type Journal Article
Title Binding of RuCp complexes with human apo-transferrin: fluorescence spectroscopy and molecular docking methods
Authors Filipa C. Santos Paulo J. Costa M. Helena Garcia Tânia S. Morais
Groups BIOIN
Journal BIOMETALS
Year 2021
Month
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Volume 34
Number 5
Pages 1029-1042
Abstract The interaction between human serum transferrin (hTf) and three promising organometallic Ru (II)- (eta(5)-C5H5) derived complexes, that have already shown strong in vitro cytotoxicity towards human cancer cell lines, has been investigated using fluorescence spectroscopic techniques. The results suggested that the formation of Ru-hTf systems involves a dynamic collision. The binding process occurs spontaneously (Delta G < 0), mainly driven by hydrophobic interactions. Additional docking studies show that all complexes bind preferably to a specific hydrophobic pocket in the C2-subdomain as already observed for other metal-cyclopentadienyl (MCp) complexes and are in agreement with the experimental results. With these studies we hope to contribute to the understanding of the mechanism of action of these promising cytotoxic agents, thus providing clues for a more rational design. Graphic abstract
DOI http://dx.doi.org/10.1007/s10534-021-00325-w
ISBN
Publisher
Book Title
ISSN 0966-0844
EISSN 1572-8773
Conference Name
Bibtex ID WOS:000664560600001
Observations
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