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Molecular docking evaluation of celecoxib on the boron nitride nanostructures for alleviation of cardiovascular risk and inflammatory
(Elsevier, 2021-10-29)
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 ...
Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study
(Elsevier, 2021-05-18)
The adsorption of penicillamine (PCA) on pure B12N12 and B12CaN12 nanocages in aqueous and chloroform solvents has been evaluated using density functional theory (DFT) calculations. The interaction of PCA on B12N12 nanocages ...
Extraction of penicillin G from aqueous solution using a membrane contactor: Numerical investigation
(Elsevier, 2021-05-23)
In the current study, the treatment of pharmaceutical wastewater containing penicillin G treatment using a hollow fibre membrane contactor was investigated. A mathematical model based on the finite element method was ...