Investigation of Flutamide@Ethyleneimine as Drug Carrier by Nanocone and Nanotube Theoretically

Document Type : Research Article


1 Department of Chemistry, Kerman Department of Chemistry, Kerman Branch, Islamic Azad University, Kerman, I.R. IRAN

2 Department of Chemistry, Kerman Branch, Islamic Azad University, Kerman, I.R. IRAN

3 Department of Chemistry, Faculty of Science, University of Jiroft, Jiroft, I.R. IRAN


Flutamide is used with a luteinizing hormone-releasing hormone agonist, a type of hormonal injections such as leuprolide, goserelin, or triptorelin to treat certain types of prostate cancer. Flutamide is in a class of medications called nonsteroidal antiandrogens. Ethyleneimine  is used in polymerization products; as a monomer for polyethyleneimine; as a comonomer for polymers and in paper and textile chemicals, adhesives, and binders. This study applied ethyleneimine to modify Flutamide as an anti-cancer drug. Therefore, an investigation of the adsorption behavior and electronic properties of carbon nanotubes and nanocones against flutamide @ ethyleneimine was carried out by calculation of the density functional theory. The N atom of flutamide @ ethyleneimine helps its adsorption on the nanotubes and nanocones, showing adsorption energies of around - 30.1 and - 20.5 kcal/mol, correspondingly. Chemical activities of the nano complexes were specified through electronic parameters such as electronegativity, electron affinity, softness, and hardness. All calculated data obtained good behavior of flutamide @ ethyleneimine with nanotubes and nanocones adsorption as carriers.


Main Subjects

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