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Theoretical Investigation of Drug Delivery of Cimetidine as Drug of Coronavirus Disease by Silicon Nanotubes and Silicon Nanocages

With growth the Coronavirus disease the proposing and delivery of effective drugs is an important challenge in world. Here, potential and ability of Mn-doped nanostructures to transfer of Cimetidine are examined by computational models. The ΔG adsorption and recovery time for interactions of Cimetid...

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Bibliographic Details
Published in:SILICON 2024-04, Vol.16 (6), p.2349-2355
Main Authors: Batoo, Khalid Mujasam, Ahmed, Hanan Hassan, Al-Maliky, Mohammed Abbood, Mohammed, Borhan Mustafa, Hamood, Sarah A., Hussain, Sajjad, Al-Abdeen, Salah Hassan Zain, Khlewee, Ibrahim Hammoud, Al- Musawi, Sada Ghalib, Alawadi, Ahmed, Abbas, Ali Hashim
Format: Article
Language:English
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Summary:With growth the Coronavirus disease the proposing and delivery of effective drugs is an important challenge in world. Here, potential and ability of Mn-doped nanostructures to transfer of Cimetidine are examined by computational models. The ΔG adsorption and recovery time for interactions of Cimetidine with Mn-doped nanostructures are calculated by computational models. The Mn adoption of nanostructures are increased the E cohesive values and so Mn-doped nanostructures have the more negative E cohesive values than nanostructures. The E adsorption for Cimetidine-Mn-doped nanostructures in possible positions are valuable and negative values. The E adsorption of Mn-BNNT (8, 0) to Cimetidine adsorption are higher than other nanostructures. The nanotubes have more negative E adsorption than Mn-B 36 N 36 and Mn-Si 72 to Cimetidine adsorption. The nanotubes have higher ΔG adsorption to Cimetidine than nanocages. The water is increased the capacity of Mn-doped nanostructures to deliver the Cimetidine. Finally, based on calculated E adsorption and ΔG adsorption it can be concluded the Mn-doped nanostructures have high capacity to Cimetidine delivery.
ISSN:1876-990X
1876-9918
DOI:10.1007/s12633-023-02841-5