Synthesis, crystal structure, cytotoxicity, in-detail experimental and computational CT-DNA interaction studies of 2-picolinate Pd(II) and Pt(II) complexes
Jazyk angličtina Země Velká Británie, Anglie Médium print-electronic
Typ dokumentu časopisecké články
- Klíčová slova
- DNA interaction, Pd(II) and Pt(II) complexes, cytotoxicity, molecular docking, molecular dynamics,
- MeSH
- DNA * chemie metabolismus MeSH
- komplexní sloučeniny * chemie farmakologie chemická syntéza MeSH
- krystalografie rentgenová MeSH
- kyseliny pikolinové * chemie farmakologie MeSH
- lidé MeSH
- molekulární modely MeSH
- nádorové buněčné linie MeSH
- palladium * chemie farmakologie MeSH
- platina chemie MeSH
- protinádorové látky * farmakologie chemie chemická syntéza MeSH
- simulace molekulární dynamiky MeSH
- simulace molekulového dockingu MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- calf thymus DNA MeSH Prohlížeč
- DNA * MeSH
- komplexní sloučeniny * MeSH
- kyseliny pikolinové * MeSH
- palladium * MeSH
- picolinic acid MeSH Prohlížeč
- platina MeSH
- protinádorové látky * MeSH
A new Pd(II) complex of formula [Pd(en)(2-pyc)]+ (where, en is ethylenediamine and 2-pyc is 2-pyridinecarboxylate anion) and its reported Pt(II) analogue, i.e. [Pt(en)(2-pyc)]+ have been made by an improved synthetic procedure, yielding above 80%. They have been characterized by FT-IR, UV-Vis, 1H NMR, 13C NMR, conductivity and elemental analysis. Single crystal structural determination of [Pt(en)(2-pyc)]+ displayed that the Pt(II) cation in this complex coordinated by 2-pyc and en each as five member chelate resulting in slightly distorted square-planar array. The time-dependent spectroscopic analysis of these compounds in aqueous medium demonstrated their structural stabilities. The cytotoxic activities of Pd(II) and Pt(II) complexes, free 2-pyc and carboplatin (as standard drug) were assayed in-vitro against the HCT-116 and MCF-7 as cancerous and MCF 10 A and CCD-841 as normal cell lines. They showed the IC50 order of: carboplatin > 2-pyc > Pt(II) > Pd(II) and lower activities against non-cancerous cells. CT-DNA binding of the Pd(II), Pt(II) and 2-pyc free ligand were explored individually. In this relation, UV-Vis and fluorescence titrations disclosed quenching of CT-DNA absorption and emissions by the compounds via dynamic mechanism and formation of H-bonds and van der Waals forces between them. The interaction was further validated and verified by viscosity measurements and gel electrophoresis. Partition coefficient determination showed that all three compounds have more lipophilicity than cisplatin. Furthermore, docking analysis and molecular dynamics simulation were done to evaluate the nature of interaction between aforementioned compounds and CT-DNA. The finding results demonstrated that these agents interact with CT-DNA via groove binding and were in agreement with experimental results.Communicated by Ramaswamy H. Sarma.
Department of Chemistry University of Sistan and Baluchestan Zahedan Iran
Department of Chemistry University of Zabol Zabol Iran
Institute of Physics of the Czech Academy of Sciences Prague Czech Republic
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