The first complexes of 2-pyridylthiocyanate (L) and silver nitrate (1) and perchlorate (2) were prepared
and characterized by a single crystal X-ray analysis. The common structural motif of both 1 and 2 is coordination
of two L molecules via pyridine nitrogen atom to Ag(I). In order to properly describe the nature
of coordinative bonds in 1 and 2, as well as crystal packings in respective structures, a Quantum Theory of
Atoms in Molecule topological analysis was performed. Coordinated nitrate ion provides more electron
density to Ag(I) in comparison to perchlorate ion. Additional electron density in the case of 2 was provided
by the coordination of third L molecule via thiocyanate nitrogen atom resulting in a 1D polymeric
structure. Detailed computational analysis of intermolecular interactions, as well analysis of interactions
between pyridine ring and –SCN group was performed. Antiproliferative activity of monomeric compound
1 was found to be better than of cisplatin on thre...e out of four studied human cancer cell lines.
Docking studies indicate intercalation as a major binding mode of 1 to DNA, while human serum albumin
was revealed as possible carrier for distribution of 1 in the blood stream.
Keywords:
Silver Organic thiocyanates / Coordination polymers / Antiproliferative activity / Docking / program / database / drug / binding / complexes / recognition / sequence / dna / crystal-structures
TY - JOUR
AU - Filipović, Nenad R.
AU - Ristić, Predrag
AU - Janjić, Goran
AU - Klisurić, Olivera
AU - Puerta, Adrián
AU - Padrón, José M.
AU - Donnard, Morgan
AU - Gulea, Mihaela
AU - Todorović, Tamara R.
PY - 2019
UR - https://cer.ihtm.bg.ac.rs/handle/123456789/3315
AB - The first complexes of 2-pyridylthiocyanate (L) and silver nitrate (1) and perchlorate (2) were prepared
and characterized by a single crystal X-ray analysis. The common structural motif of both 1 and 2 is coordination
of two L molecules via pyridine nitrogen atom to Ag(I). In order to properly describe the nature
of coordinative bonds in 1 and 2, as well as crystal packings in respective structures, a Quantum Theory of
Atoms in Molecule topological analysis was performed. Coordinated nitrate ion provides more electron
density to Ag(I) in comparison to perchlorate ion. Additional electron density in the case of 2 was provided
by the coordination of third L molecule via thiocyanate nitrogen atom resulting in a 1D polymeric
structure. Detailed computational analysis of intermolecular interactions, as well analysis of interactions
between pyridine ring and –SCN group was performed. Antiproliferative activity of monomeric compound
1 was found to be better than of cisplatin on three out of four studied human cancer cell lines.
Docking studies indicate intercalation as a major binding mode of 1 to DNA, while human serum albumin
was revealed as possible carrier for distribution of 1 in the blood stream.
PB - England : Elsevier
T2 - Polyhedron
T1 - Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study
VL - 173
SP - 114132
DO - 10.1016/j.poly.2019.114132
ER -
@article{
author = "Filipović, Nenad R. and Ristić, Predrag and Janjić, Goran and Klisurić, Olivera and Puerta, Adrián and Padrón, José M. and Donnard, Morgan and Gulea, Mihaela and Todorović, Tamara R.",
year = "2019",
abstract = "The first complexes of 2-pyridylthiocyanate (L) and silver nitrate (1) and perchlorate (2) were prepared
and characterized by a single crystal X-ray analysis. The common structural motif of both 1 and 2 is coordination
of two L molecules via pyridine nitrogen atom to Ag(I). In order to properly describe the nature
of coordinative bonds in 1 and 2, as well as crystal packings in respective structures, a Quantum Theory of
Atoms in Molecule topological analysis was performed. Coordinated nitrate ion provides more electron
density to Ag(I) in comparison to perchlorate ion. Additional electron density in the case of 2 was provided
by the coordination of third L molecule via thiocyanate nitrogen atom resulting in a 1D polymeric
structure. Detailed computational analysis of intermolecular interactions, as well analysis of interactions
between pyridine ring and –SCN group was performed. Antiproliferative activity of monomeric compound
1 was found to be better than of cisplatin on three out of four studied human cancer cell lines.
Docking studies indicate intercalation as a major binding mode of 1 to DNA, while human serum albumin
was revealed as possible carrier for distribution of 1 in the blood stream.",
publisher = "England : Elsevier",
journal = "Polyhedron",
title = "Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study",
volume = "173",
pages = "114132",
doi = "10.1016/j.poly.2019.114132"
}
Filipović, N. R., Ristić, P., Janjić, G., Klisurić, O., Puerta, A., Padrón, J. M., Donnard, M., Gulea, M.,& Todorović, T. R.. (2019). Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study. in Polyhedron
England : Elsevier., 173, 114132.
https://doi.org/10.1016/j.poly.2019.114132
Filipović NR, Ristić P, Janjić G, Klisurić O, Puerta A, Padrón JM, Donnard M, Gulea M, Todorović TR. Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study. in Polyhedron. 2019;173:114132.
doi:10.1016/j.poly.2019.114132 .
Filipović, Nenad R., Ristić, Predrag, Janjić, Goran, Klisurić, Olivera, Puerta, Adrián, Padrón, José M., Donnard, Morgan, Gulea, Mihaela, Todorović, Tamara R., "Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study" in Polyhedron, 173 (2019):114132,
https://doi.org/10.1016/j.poly.2019.114132 . .
