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Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe2(μ-SC4H3SCH2)2(NO)4]. / Davidovich, P.B.; Fischer, A.I.; Korchagin, D.V.; Panchuk, V.V.; Shchukarev, A.V.; Garabadzhiu, A.V.; Belyaev, A.N.

In: Journal of Molecular Structure, Vol. 1092, 2015, p. 137-142.

Research output: Contribution to journal › Article

Harvard

Davidovich, PB, Fischer, AI, Korchagin, DV, Panchuk, VV, Shchukarev, AV, Garabadzhiu, AV & Belyaev, AN 2015, 'Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe2(μ-SC4H3SCH2)2(NO)4]', Journal of Molecular Structure, vol. 1092, pp. 137-142. https://doi.org/10.1016/j.molstruc.2015.03.025

APA

Davidovich, P. B., Fischer, A. I., Korchagin, D. V., Panchuk, V. V., Shchukarev, A. V., Garabadzhiu, A. V., & Belyaev, A. N. (2015). Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe2(μ-SC4H3SCH2)2(NO)4]. Journal of Molecular Structure, 1092, 137-142. https://doi.org/10.1016/j.molstruc.2015.03.025

Vancouver

Davidovich PB, Fischer AI, Korchagin DV, Panchuk VV, Shchukarev AV, Garabadzhiu AV et al. Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe2(μ-SC4H3SCH2)2(NO)4]. Journal of Molecular Structure. 2015;1092:137-142. https://doi.org/10.1016/j.molstruc.2015.03.025

Author

Davidovich, P.B. ; Fischer, A.I. ; Korchagin, D.V. ; Panchuk, V.V. ; Shchukarev, A.V. ; Garabadzhiu, A.V. ; Belyaev, A.N. / Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe2(μ-SC4H3SCH2)2(NO)4]. In: Journal of Molecular Structure. 2015 ; Vol. 1092. pp. 137-142.

BibTeX

@article{05fd90509837443da20d2b5aa3b2d85b,
title = "Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe2(μ-SC4H3SCH2)2(NO)4]",
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. (C) 2015 Elsevier B.V. All rights reserved.",
author = "P.B. Davidovich and A.I. Fischer and D.V. Korchagin and V.V. Panchuk and A.V. Shchukarev and A.V. Garabadzhiu and A.N. Belyaev",
year = "2015",
doi = "10.1016/j.molstruc.2015.03.025",
language = "English",
volume = "1092",
pages = "137--142",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Synthesis, structure, biochemical, and docking studies of a new dinitrosyl iron complex [Fe2(μ-SC4H3SCH2)2(NO)4]

AU - Davidovich, P.B.

AU - Fischer, A.I.

AU - Korchagin, D.V.

AU - Panchuk, V.V.

AU - Shchukarev, A.V.

AU - Garabadzhiu, A.V.

AU - Belyaev, A.N.

PY - 2015

Y1 - 2015

N2 - 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. (C) 2015 Elsevier B.V. All rights reserved.

AB - 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. (C) 2015 Elsevier B.V. All rights reserved.

U2 - 10.1016/j.molstruc.2015.03.025

DO - 10.1016/j.molstruc.2015.03.025

M3 - Article

VL - 1092

SP - 137

EP - 142

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

ID: 3933320