Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe-2(mu-SC4H3SCH2)(2)(NO)(4)]

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.

Fischer, A. I. (författare)
Korchagin, D. V. (författare)
Panchuk, V. V. (författare)
Shchukarev, Andrey V.Umeå universitet,Kemiska institutionen(Swepub:umu)ansh0001 (författare)
Garabadzhiu, A. V. (författare)
Belyaev, A. N. (författare)
Umeå universitetKemiska institutionen (creator_code:org_t)

Ingår i:Journal of Molecular Structure: Elsevier BV1092, s. 137-1420022-28601872-8014

Av författaren/redakt...: Davidovich, P. B ...; Fischer, A. I.; Korchagin, D. V.; Panchuk, V. V.; Shchukarev, Andr ...; Garabadzhiu, A. ...; visa fler...; Belyaev, A. N.; visa färre...

Om ämnet

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.