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

期刊论文
发表日期：

2024年1月8日

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Khalid Mujasam Batoo,
Hanan Hassan Ahmed,
Mohammed Abbood Al-Maliky,
Borhan Mustafa Mohammed,
Sarah A. Hamood,
Sajjad Hussain,
Salah Hassan Zain Al-Abdeen,
Ibrahim Hammoud Khlewee,
Sada Ghalib Al- Musawi,
Ahmed Alawadi,
Ali Hashim Abbas

摘要

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-B₃₆N₃₆ and Mn-Si₇₂ 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.