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

doi:10.1080/10255842.2023.2267718

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Please use this identifier to cite or link to this item: https://ir.cnu.edu.tw/handle/310902800/34920

Title:	Mechanical quantum analysis on the role of transition metals on the delivery of metformin anticancer drug by the boron phosphide nanotube
Authors:	Hsu, Chou-Yi Abbood, Manal A. Abbood, Nabeel Kadhim Al-Athari, Ali Jihad Hemid Shather, A. H. Kareem, Ashwaq Talib Ahmed, Hanan Hassan Yadav, Anupam
Contributors:	Chia Nan Univ Pharm & Sci, Dept Pharm Univ Technol Baghdad, Dept Appl Sci, Div Med & Ind Mat Sci Basrah Univ Oil & Gas, Oil & Gas Engn Coll, Chem Engn & Oil Refining Dept Al Mustaqbal Univ, Coll Pharm Al Kitab Univ, Dept Comp Engn Technol Natl Univ Sci & Technol, Coll Pharm Al Noor Univ Coll, Dept Pharm GLA Univ, Dept CEA
Keywords:	Drug delivery BP nanotube metformin drug density functional theory adsorption
Date:	2024
Issue Date:	2024-12-25 11:05:40 (UTC+8)
Publisher:	TAYLOR & FRANCIS LTD
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.
Relation:	Computer Methods In Biomechanics And Biomedical Engineering, v.27, n.13, pp.1920-1930
Appears in Collections:	[Offices] 456

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