Marino Santos, UCIBIO, FCT-NOVA
Abstract:
Vanadium (V) is a biologically important element and, in the last years, its therapeutic use inorganic and complexed with small organic ligands has been also investigated (namely as insulin enhancer agents) even if such application has been hampered by the lack of information on the different V containing species that may form and how these interact with blood cell proteins. 1-6
In this work, we report different crystal structures of lysozyme (HEWL) with bound VIVO2 and VIVOL2++, where L=2,2’ bipyridine or 1,10 phenanthroline (phen), and of trypsin with VIVO(picolinato) 2 and VVO2 .(phen)+ moieties.7 Computational studies complete the refinement and shed light on the relevant role of hydrophobic interactions, hydrogen bonds, and microsolvation in stabilizating the structure. Trypsin VVO2(phen) and trypsin VIVO(OH)(phen) adducts correspond to similar energies suggesting a possible interconversion under physiological/biological conditions. The obtained data support the relevance of hydrolysis of V IVand VV complexes in the several types of binding established with proteins and the formation of different adducts that might contribute to their pharmacological action, and significantly widen our knowledge of vanadium–protein interactions.
1 J. C . Pessoa et al. al., 2015 , Coord. Chem. Rev. Rev., 301 302, 49 86;
2 S. Mehtab et al. al., 2013 . J. In org. Bio. Bio., 187 195;
3 M.F.A. Santos et al. al., 2014 , Eur. J. Inorg. Chem. 2014, 3293 3297;
4 I. Correia et al. al., 2017 , Chem. Asian J.J., 12(16), 2062 2084;
5 C. G. Azevedo et al. al., 2018 , J. Inorg. Bio. Bio., 121, 211 221.
6 J. C . Pessoa et al. al., 20 21 , Coord. Chem. Rev. Rev., 449, 214192
7 M.F.A. Santos et al. al., 2022 , Eur. J. Chem. Chem., 28(40), e202200105
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If you have any questions for the presenter, please contact them via email: mf.santos@campus.fct.unl.pt