ArticleJournal of molecular modeling2022
A molecular modeling on the potential application of beryllium oxide nanotube for delivery of hydroxyurea anticancer drug.
Article in Journal of molecular modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Protective effect of orientin on diabetic nephropathy in rat models of high-fat diet and streptozotocin-induced diabetes.Naunyn-Schmiedeberg's archives of pharmacology · 2025Article
- Inhibitory effects of carbohydrazide indole derivative on micro-blood vessel growth using ex vivo, in vivo, and in vitro assays.In vitro cellular & developmental biology. Animal · 2025Article
- The Possible effect of Bosentan on the methotrexate-induced salivary gland changes in male rats: histological and Immunohistochemical study.Toxicology research · 2025Article
- Anti-angiogenic and anti-oxidant effects of 2-NTI indole derivative vs. suramin in ex vivo, in vivo, and in vitro studies.Cytotechnology · 2025Article
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Authors and funding
6 authors.
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Abstract
Within this work, we scrutinized the use of BeO nanotube (BeONT) as a nanocarrier for the anticancer drug hydroxyurea (HU) through density functional theory (DFT) calculations. We utilized the functional ꞷB97XD and the basis set 6-31G**. Based on a detailed surface analysis, HU was adsorbed on the surface of the nanotube through 4 different orientations. Also, no vibrational spectra exhibited imaginary frequencies, showing the minimum energy of the relaxed structures. The maximum adsorption energy and the minimum adsorption energy are in strong physical adsorption. The BeONT exhibited p-type semiconducting characteristics in all orientations since it received electronic charge from HU. The results demonstrate the possibility of using the BeONT as a promising carrier for HU drugs.
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