IDEAS home Printed from https://ideas.repec.org/a/taf/gcmbxx/v27y2024i13p1920-1930.html
   My bibliography  Save this article

Mechanical quantum analysis on the role of transition metals on the delivery of metformin anticancer drug by the boron phosphide nanotube

Author

Listed:
  • Chou-Yi Hsu
  • Manal A. Abbood
  • Nabeel Kadhim Abbood
  • Ali Jihad Hemid Al-Athari
  • A. H. Shather
  • Ashwaq Talib Kareem
  • Hanan Hassan Ahmed
  • Anupam Yadav

Abstract

We scrutinized the impact of doping of X atoms (X = Fe, Co, Ni, Cu, and Zn) on the metformin (MF) drug delivery performance of a BP nanotube (BPNT) using density functional B3LYP calculations. The pristine BPNT was not ideal for the drug delivery of MF because of a weak interaction between the drug and nanotube. Doping of the Zn, Cu, Ni, Co, and Fe into the BPNT surface raised the adsorption energy of MF from −5.3 to –29.1, −28.7, −29.8, −32.1, and −26.9 kcal/mol, respectively, demonstrating that the sensitiveness of the metal-doped BPNT increased after increasing the radius atomic of metals. Ultimately, there was an increase in the adhesion performance and capacity of the MF after X (especially Co atom) doping, making the nanotube suitable for MF drug delivery. The mechanism of MF reaction with the BPNT changed from covalent bonding in the natural environment to hydrogen bonding in the cancerous cells with high acidity.

Suggested Citation

  • Chou-Yi Hsu & Manal A. Abbood & Nabeel Kadhim Abbood & Ali Jihad Hemid Al-Athari & A. H. Shather & Ashwaq Talib Kareem & Hanan Hassan Ahmed & Anupam Yadav, 2024. "Mechanical quantum analysis on the role of transition metals on the delivery of metformin anticancer drug by the boron phosphide nanotube," Computer Methods in Biomechanics and Biomedical Engineering, Taylor & Francis Journals, vol. 27(13), pages 1920-1930, October.
    • Handle: RePEc:taf:gcmbxx:v:27:y:2024:i:13:p:1920-1930
    DOI: 10.1080/10255842.2023.2267718
    as

    Download full text from publisher

    File URL: http://hdl.handle.net/10.1080/10255842.2023.2267718
    Download Restriction: Access to full text is restricted to subscribers.
    File URL: https://libkey.io/10.1080/10255842.2023.2267718?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:taf:gcmbxx:v:27:y:2024:i:13:p:1920-1930. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Chris Longhurst (email available below). General contact details of provider: http://www.tandfonline.com/gcmb .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.