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| 標題: | Mechanical quantum analysis on the role of transition metals on the delivery of metformin anticancer drug by the boron phosphide nanotube |
| 作者: | 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 |
| 貢獻者: | 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 |
| 關鍵字: | Drug delivery
BP nanotube
metformin drug
density functional theory
adsorption |
| 日期: | 2024 |
| 上傳時間: | 2024-12-25 11:05:40 (UTC+8) |
| 出版者: | TAYLOR & FRANCIS LTD |
| 摘要: | 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. |
| 關聯: | Computer Methods In Biomechanics And Biomedical Engineering, v.27, n.13, pp.1920-1930 |
| 顯示於類別: | [行政單位] 456
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