Abstract
Thus far, numerous pieces of research have been undertaken into developing new drug delivery systems. Within the current piece of research, the BN-biphenyl nanosheet (BN-bNS) was employed as a BN-analog of biphenyl. The DFT estimations were undertaken to explore the interaction between the anti-cancer drug 5-fluorouracil (5-FU) and BN-bNS. Moreover, the results demonstrated the chemical reactivity of the complex of 5-FU/ BN-bNS, which demonstrated its suitability for 5-FU bonding with the adsorptive site. Moreover, for the better understanding of the complexes of 5-FU BN-bNS, we performed the noncovalent interaction analysis, and the interaction between 5-FU and BN-bNS was found to be strong. So, BN-bNS can be used a promising nanocarrier for 5-FU for drug delivery purposes.
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