| 1. |
- Davidovich, P. B., et al.
(författare)
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Synthesis and structure of dinitrosyl iron complexes with secondary thiolate bridging ligands [Fe-2(mμ-SCHR2)(2)(NO)(4)], R = Me, Ph
- 2015
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Ingår i: Polyhedron. - : Elsevier. - 0277-5387 .- 1873-3719. ; 90, s. 197-201
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Tidskriftsartikel (refereegranskat)abstract
- New dinitrosyl iron complexes of binuclear structure [Fe-2(mu-SCHMe2)(2)(NO)(4)] and [Fe-2(mu-SCHPh2)(2)(NO)(4)] were first synthesized employing new method from Fe(CO)(5), corresponding thiol, and EtONO. Complexes structures were determined by XRD technique. DFT calculations were performed to probe the cis-conformer structures in gas and solution phases. NO donor ability of the complex with isopropyl thiolate ligand was studied.
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| 2. |
- Davidovich, P. B., et al.
(författare)
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Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe-2(mu-SC4H3SCH2)(2)(NO)(4)]
- 2015
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Ingår i: Journal of Molecular Structure. - : Elsevier BV. - 0022-2860 .- 1872-8014. ; 1092, s. 137-142
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Tidskriftsartikel (refereegranskat)abstract
- A new dinitrosyl iron complex of binuclear structure [Fe-2(mu-S-2-methylthiophene)(2)(NO)(4)] was first synthesized and structurally characterized by XRD and theoretical methods. Using caspase-3 as an example it was shown that [Fe-2(mu-S-2-methylthiophene)(2)(NO)(4)] and its analog [Fe-2(mu-S-2-methylfurane)(2)(NO)(4)] can inhibit the action of active site cysteine proteins; the difference in inhibitory activity was explained by molecular docking studies. Biochemical and in silico studies give grounds that the biological activity of dinitrosyl iron complexes is a mu-SR bridging ligand structure function. Thus the rational design strategy of [Fe-2(mu-SR)(2)(NO)(4)] complexes can be applied to make NO prodrugs with high affinity to therapeutically significant targets involved in cancer and inflammation.
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