<p>A substantial amount of research has been conducted on the development of innovative systems for drug delivery. This study explores the use of boron nitride biphenylene network (BPN–BN) as a BPN analog of biphenyl. DFT calculations were undertaken for examining the interactions between BPN–BN and thioguanine (THG), which is an anticancer drug. The THG/BPN–BN system was found to exhibit chemical reactivity, making it ideal for the bonding of THG with the adhesive site. Additionally, the non-covalent interaction analysis was conducted to understand the complexes of THG with BPN–BN, revealing that the interactions between THG and BPN–BN were strong. Consequently, it was confirmed that BPN–BN has the potential to serve as a potential nanocarrier for THG.</p>

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Utilizing BN-biphenylene nanosheet as a potential carrier for thioguanine: a promising drug delivery system

  • Yousef A. Bin Jardan,
  • Yashwantsinh Jadeja,
  • Soumya V. Menon,
  • Debasish Shit,
  • Girish Chandra Sharma,
  • Mounir M. Bekhit,
  • Rasha Ali Abdalhuseen,
  • Salah Hassan Zain Al-Abdeen,
  • Ruaa Sattar

摘要

A substantial amount of research has been conducted on the development of innovative systems for drug delivery. This study explores the use of boron nitride biphenylene network (BPN–BN) as a BPN analog of biphenyl. DFT calculations were undertaken for examining the interactions between BPN–BN and thioguanine (THG), which is an anticancer drug. The THG/BPN–BN system was found to exhibit chemical reactivity, making it ideal for the bonding of THG with the adhesive site. Additionally, the non-covalent interaction analysis was conducted to understand the complexes of THG with BPN–BN, revealing that the interactions between THG and BPN–BN were strong. Consequently, it was confirmed that BPN–BN has the potential to serve as a potential nanocarrier for THG.