A Comparative DFT Investigation of the Adsorption of Temozolomide Anticancer Drug over Beryllium Oxide and Boron Nitride Nanocarriers
Mahmoud A. A. Ibrahim,
Al-Shimaa S. M. Rady,
Peter A. Sidhom
et al.
Abstract:Herein, attempts were made to explore the adsorption prospective of beryllium oxide (Be 12 O 12 ) and boron nitride (B 12 N 12 ) nanocarriers toward the temozolomide (TMZ) anticancer drug. A systematic investigation of the TMZ adsorption over nanocarriers was performed by using quantum chemical density functional theory (DFT). The favorability of Be 12 O 12 and B 12 N 12 nanocarriers toward loading TMZ was investigated through A↔D configurations. Substantial energetic features of the proposed configurations we… Show more
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