Improved anti-inflammatory and anticancer properties of celecoxib loaded zinc oxide and magnesium oxide nanoclusters: A molecular docking and density functional theory simulation

• 主要な著者: Nabo Sun, Mohammad Javed Ansari, Ng, Andrew Kay Lup, Masoud Javan, Alireza Soltani, Seyed Reza Khandoozi, Ali Arian Nia, Samaneh Tavassoli, Md Lutfor Rahman, Mohd Sani Sarjadi, Shaheen M. Sarkar, Su, Chia-Hung, Hoang Chinh Nguyen
• フォーマット: 論文
• 言語: English; English
• 出版事項: Elsevier 2021
• 主題: RC254-282 Neoplasms. Tumors. Oncology Including cancer and carcinogens
• オンライン･アクセス: https://eprints.ums.edu.my/id/eprint/32180/4/Improved%20anti-inflammatory%20and%20anticancer%20properties%20of%20celecoxib%20loaded%20zinc%20oxide%20and%20magnesium%20oxide%20nanoclusters_%20A%20molecular%20docking%20and%20density%20functional%20theory%20simulation_ABSTRACT.pdf; https://eprints.ums.edu.my/id/eprint/32180/1/Improved%20anti-inflammatory%20and%20anticancer%20properties%20of%20celecoxib%20loaded%20zinc%20oxide%20and%20magnesium%20oxide%20nanoclusters_%20A%20molecular%20docking%20and%20density%20functional%20theory%20simulation.pdf; https://eprints.ums.edu.my/id/eprint/32180/; https://www.sciencedirect.com/science/article/pii/S1878535221005839; https://doi.org/10.1016/j.arabjc.2021.103568

Present study offers great prospects for the adsorption of anti-inflammatory celecoxib molecule (CXB) over the surface of zinc oxide (Zn12O12) and magnesium oxide (Mg12O12) nanoclusters in several environments by performing robust theoretical calculations. Density functional theory (DFT), time-depen...