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Design Of Novel Platinum And Palladium Complexes Containing Pyridyl Type Ligands For Cancer Tumor Treatment Using Molecular Modeling Approach

Oluşturulma Tarihi: 04-09-2018

Niteleme Bilgileri

Tür: Tez

Alt Tür: Doktora

Yayınlanma Durumu: Yayınlanmamış

Dosya Biçimi: PDF

Dil: Türkçe

Konu(lar): Kimya, Kimyasal teknoloji, Kimya mühendisliği, Kimyasallar: Üretim, kullanım, vb.,

Yazar(lar): El-Hag, Rabia Hadi Mohamed (Yazar),

Emeği Geçen(ler): Kayı, Hakan (Danışman), Özalp Yaman, Şeniz (Danışman),

Anahtar Kelimeler

Antitumor drugs, Platinum(II) and Palladium(II) Complexes, SulphurNitrogen Donor Ligands, DNA interaction mechanisms


Özet

In the middle of the last century, after the discovery of a compound of cisplatin, this compound became one of the most important chemical compounds used in the treatment of several different types of cancer. But despite the ability of this compound to kill and destroy cancer cells, it is still unable to treat several types of cancer in addition to side effects caused by this compound, which led scientists to search for another compound is more effective and without side effects. Many of the drugs that have been discovered have shown little of their efficacy against cancer. Despite the techniques and progress we have achieved, and the countless number of doctors devoted to fight it, cancer remains a real threat, an incurable disease, but nevertheless, there is still hope. Scientists have come up with treatments that seemed impossible 50 years ago, and they managed to get rid of some cancers that were called incurable. We started using treatment tools in different ways to achieve great results. Although the cancer may still be terrifying and may always remain so the steps we have taken against it have made treatment not only possible, but within reach.
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Previous studies can conclude that platinum and palladium compounds are among the most effective compounds against cancer cells if we take in account many parameters such as suitable ligand, good geometry and active leaving group. From here, the research began to design and develop some platinum and palladium compounds as alternative cancer treatment compounds. In this research sixteen platinum and palladium compounds were designed with two different types of ligands. New compounds were designed and tested theoretically by using density functional theory, DFT. The geometry optimizations and spectroscopic properties of these complexes such as FTIR, NMR and UV-vis were calculated using the Gaussian program by using B3LYP/LANL2DZ level of theory. The process of interaction of these compounds with two types of DNA was then simulated using the Docking program which revealed that our complexes interacts with DNA through different mechanisms than that of cisplatin (covalent, electrostatic, groove and intercalation) which may lead to overcome the side effects of cisplatin. The theoretical results of the compounds are very encouraging. Some of these compounds have been experimentally tested on live cells and have proven effective against several types of cancer. The good agreement between the experimental and theoretical results was observed. The new complexes in question have promising results for further future studies on these complexes.


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