Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study
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2019
Authors
Filipović, Nenad R.Ristić, Predrag

Janjić, Goran

Klisurić, Olivera
Puerta, Adrián
Padrón, José M.
Donnard, Morgan

Gulea, Mihaela

Todorović, Tamara R.
Article (Published version)

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Show full item recordAbstract
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-structuresSource:
Polyhedron, 2019, 173, 114132-Publisher:
- England : Elsevier
Projects:
- Directed synthesis, structure and properties of multifunctional materials (RS-172057)
- Spanish Government for financial support through project PGC2018-094503-B-C22 (MCIU/AEI/FEDER, UE).
DOI: 10.1016/j.poly.2019.114132
ISSN: 02775387