Abstract
Remdesivir has been recognized as an important medicine in the control of COVID-19 illness. Since carbon nanotubes were considered in the design of novel drug delivery vehicles, the interaction between simple CNT, functionalized CNT by carboxylic group and S-, Al-, and Si-doped CNT and Remdesivir drug were studied using density functional theory (DFT) and time dependent DFT (TDDFT) calculations. The results of this work show that the Si-doped CNT is the best drug delivery system for Remdesivir due to its better electronic, energetic, adsorption and thermodynamic properties.
All Keywords
【초록키워드】 Interaction, Adsorption, COVID-19 illness, functional, thermodynamic, CNT, 【제목키워드】 COVID-19, Treatment, Adsorption, effective, quantum,
【초록키워드】 Interaction, Adsorption, COVID-19 illness, functional, thermodynamic, CNT, 【제목키워드】 COVID-19, Treatment, Adsorption, effective, quantum,