در هنگام جستجو کلمه در قسمت عنوان میتوانید کلمات مورد جستجو را با کاراکتر (-) جدا کنید.
کاربرد نوع شرط:
- جایگاه : پژوهشی
- مجله: Physical Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: SPION,Chelation Therapy,DFX,Iron-ligand
- چکیده:
- چکیده انگلیسی: Iron is one of the most important elements in biological systems and related processes to the oxygen transfer. Although the inadequate level of iron leads to physical disability, a high level of iron also plays a role in several diseases, including heart disease, diabetes, and cancer. Iron chelators are species that facilitate iron removal. Experimental results have shown that iron chelators have strong antiplatelet properties against many cancers. In this study, for the first time, Deferasirox is conjugated to the superparamagnetic iron oxide nanoparticles (SPIONs) with the aid of APTMS linker, yielding iron-ligand complex (ligand= SPION-APTMS-DFX). The terminal methyl groups are considered as the substitutes for nanoparticles. Theoretical calculations were performed at M062X/6-311G(d,p) level to obtain the optimized structures of the iron complex in quintet, triplet, and singlet multiplicities. Natural bond orbital and quantum theory of atoms in molecules analyses were carried out to understand the nature of the complex bond character and electronic transitions in the complexes. The obtained results confirm a high affinity of Deferasirox to iron and show that the bond of metal ion and donor atoms of the ligand is covalent.
- انتشار مقاله: 05-02-1399
- نویسندگان: Seyed Mojtaba Mashmoul Moghadam,Amir Shokooh Saljooghi,Mohammad Izadyar
- مشاهده
- جایگاه : پژوهشی
- مجله: Physical Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Nickel,DFT,QTAIM,Metal chelators,Toxic Metals
- چکیده:
- چکیده انگلیسی: The present study describes the metal chelating ability of 3-Hydroxyflavene, Deferiprone and Maltol with Ni2+ metal ion using density functional theory. Structural analysis indicates that all three chelators bind to Ni2+ ion as a two-dentate chelator. Donor-acceptor interactions show an effective charge transfer from the oxygen atoms of the chelators towards Ni2+. Quantum theory of atoms in molecules analysis shows that the non-covalent interactions, mainly, electrostatic interactions play an important role in the complex formation of the selected chelators and Ni2+ ion. The TD-DFT study was applied in order to investigate the main electron transition. The ELF and LOL analysis was applied to confirm the result obtained from the QTAIM. Interaction energies and metal ion affinity were calculated for the [Ni(L)2] complexes and the results revealed a highly exothermic reaction during the chelation process. Natural bond analysis (NBO) and natural population analysis (NPA) and spin density evaluation were carried out in order to understand the charge transfer in the studied complexes. The NCI–RDG isosurface of the studied complexes show a complete set of electrostatic interactions, which encompass van der Waals interactions. The results verified that the selected chelators could be considered as effective chelating agents for Ni therapy.
- انتشار مقاله: 28-06-1398
- نویسندگان: Samie Salehi,Seyed Mojtaba Mashmoul Moghadam,Mojtaba Tarin,Amir Shokooh Saljooghi
- مشاهده
- جایگاه : پژوهشی
- مجله: Asia Pacific Journal of Medical Toxicology
- نوع مقاله: Journal Article
- کلمات کلیدی: Deferasirox,Hematological Tests,Iron-Deficiency,lead poisoning
- چکیده:
- چکیده انگلیسی: Background: Metals such as iron, zinc, and copper are critical and necessary for the survival of all living organisms, whereas xenobiotic metals such as lead, cadmium, mercury, and arsenic have no known biologic role. Any metals in high doses can have toxic effects. The aim of this work was to evaluate the hematological changes induced by lead as a toxic metal and characterize the potential efficacy of Deferasirox in removing lead from bodies of male rats.
Methods: Lead was given to rats at two doses of 40 (low dose of drinking lead) and 80 mg/kg (high dose of drinking lead). After 60 days of lead administration, chelation therapy was carried out for two weeks and then clinical, biochemical and haematological parameters were compared with the lead-free control group.
Results: The results showed a decrease in iron level, hematocrit, red blood cells count, hemoglobin concentration, mean cellular volume, mean corpuscular hemoglobin and mean corpuscular hemoglobin concentration, after lead administration. Chelation therapy with Deferasirox (DFX) significantly reduced blood lead level, and iron concentrations returned to normal levels simultaneously.
Conclusion: Deferasirox significantly reduced blood lead level along with normalizing iron. The symptoms of toxicity were also reduced and iron deficiency anemia following lead administration was obviated.- انتشار مقاله: 19-07-1395
- نویسندگان: Maliheh Zahmati,Amir Shokooh Saljooghi
- مشاهده