Computational analysis of anti-cancer drug hydroxyurea adsorption on nanocages of gold, silver and copper: SERS and DFT assessment

• Published in: Heliyon Vol. 10; no. 5; p. e24475
• Main Authors: Kumaran, S., Vetrivelan, V., Muthu, S., Al-Saadi, Abdulaziz A.
• Format: Journal Article
• Language: English
• Published: England Elsevier Ltd 15.03.2024; Elsevier
• Subjects: DFT; Docking; FMO; MEP; NLO; SERS; NLO; MEP; FMO; Docking; DFT; SERS

The use of nanostructures in targeted drug delivery is effective in decreasing anticancer drug toxicity. Here, we discuss the theoretically predicted adsorption and interaction behavior of hydroxyurea [HU] with nano metal cages (nmC). HU interact the nmC through the N4 in primary amine with energies...