Molecular Simulation Study of Gold Clusters for Transporting of Thioguanine Anticancer Drug in Aqueous Solution

Designing Zr12O12 nanocage for the delivery of anticancer drugs: a theoretical study

“…Nanomaterials have unusual physicochemical properties, such as high structural stability, appropriate hydrophilichydrophobic balance, rapid diffusion ability large specific surface area, and low toxicity [4], which endow them with great potential in the field of drug delivery [5]. In recent years, various nanomaterials, such as boron nitride nanotube (BNNT) [6], graphene nanosheet [7], gold clusters [8], zinc oxide nanosheet [9], phosphorene [10], and graphyne [11] have been proposed for the delivery of TG, 5-Fu, and MP anticancer drugs. Amongst, different nanocages have attracted great attention from pharmacists owing to their high loading capability, fewer side effects, and high efficiency to pass the cell membrane [12][13][14][15].…”

Two-dimensionalcovalent triazine frameworks as superior nanocarriers for the delivery of thioguanine anti-cancer drugs: a periodic DFT study

“…77,[81][82][83] To minimize the undesirable side effects and enhance the effectiveness of this momentous anti-cancer drug, the DD process via the drug carrier must be improved, so that the TG drug is delivered precisely to the target cancer cell. 75,[84][85][86] Our research in the present study is focused on applying pristine CTF nanosheets in the delivery and release of TG anti-cancer drugs.…”