Adsorptin of bendomustine anti-cancer drug on Al/B-N/P nanocages: A comparative DFT study

Anti-cancer drug delivery based on nanocages is important step in development process due to reducing side effects and drug-releasing near the tumor cell. We have studied interaction of bendamustine anti-cancer with Al/B-N/P utilization density functional theory (DFT) approach both gas water phases at B3LYP/6-31G (d,p) level theory. Results show that quantum parameters were somewhat varied by adsorption drug. The operates as an electrons donor can adsorb site electron?s acceptor nanocages. changes Gibbs energy correspond a chemisorption phases. results indicated bond between covalent. However, all may be favorable candidates for detecting Yet, pristine B12P12 B12N12 appeared more suitable than Al12P12 Al12N12 their recovery times.