NBO Analysis of Fe (III)-salen and Fe (III)-salen-li ke complexes as potent anticancer agents

Since introduce cis-platin as antitumor drug, metal-ligand compounds have been exten sively studied due to the ir reactive roles in biological proc esses. From among Metallic Complexes, iron (I II) complex es with coordinated salen where S alen is (bis(salicylidine)ethylenediamine) ligands are subje ct of study for their desirable antitumor featu res.Molecul es possessing the ability to bind an d cleave dou ble strande d DNA und er physiolog ical conditions are important as anticancer agen ts in medicine. The inte raction of D NA with F e(III)-salen can be interp reted in the term of elec trostatic bin ding between the Fe(Sa len)+ cation and the ph osphate grou ps of DNA. Moreover these complexes showe d the ability to cleave D NA via redox processes [۱]. Fe(III)-salen produces free ra dicals in the presence of reducing agent dithi othreitol (D TT)or H۲O۲ and induces DNA dama ge in a red ox process. Anyhow the results confirmed form ation of Fe(Salen)+ with stability constant (۷.۱۱۰۲۵ M-۱).. In this article, what w e considered has been searching relation of chemical structure of compounds to the ir antitumor activity.

کلیدواژه ها:

Natura l Bond Orbitals (NBO) ، DFT ، Metal Complex ، Fe (III)-salen ، Anticancer