Molecular docking evaluation of celecoxib on the boron nitride nanostructures for alleviation of cardiovascular risk and inflammatory

• Main Authors: Yan Cao, Malihe Noori, Marziyeh Nazari, Ng, Andrew Kay Lup, Alireza Soltani, Vahid Erfani-Moghadam, Aref Salehi, Mehrdad Aghaei, Md Lutfor Rahman, Mohd Sani Sarjadi, Shaheen M. Sarkar, Su, Chia-Hung
• Format: Article
• Language: English; English
• Published: Elsevier 2021
• Subjects: RM300-666 Drugs and their actions; RS400-431 Pharmaceutical chemistry
• Online Access: https://eprints.ums.edu.my/id/eprint/32183/3/Molecular%20docking%20evaluation%20of%20celecoxib%20on%20the%20boron%20nitride%20nanostructures%20for%20alleviation%20of%20cardiovascular%20risk%20and%20inflammatory_ABSTRACT.pdf; https://eprints.ums.edu.my/id/eprint/32183/1/Molecular%20docking%20evaluation%20of%20celecoxib%20on%20the%20boron%20nitride%20nanostructures%20for%20alleviation%20of%20cardiovascular%20risk%20and%20inflammatory.pdf; https://eprints.ums.edu.my/id/eprint/32183/; https://www.sciencedirect.com/science/article/pii/S1878535221005360; https://doi.org/10.1016/j.arabjc.2021.103521

Celecoxib (CXB) is a nonsteroidal anti-inflammatory drug (NSAID) that can be used to treat rheumatoid arthritis and ischemic heart disease. In this research, density functional theory (DFT) and molecular docking simulations were performed to study the interaction of boron nitride nanotube (BNNT) and...