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Deprecated: Implicit conversion from float 310.4 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Physica+E+Low+Dimens+Syst+Nanostruct 2021 ; 129 (ä): 114668 Nephropedia Template TP
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Quantum mechanical studies of the adsorption of Remdesivir, as an effective drug for treatment of COVID-19, on the surface of pristine, COOH-functionalized and S-, Si- and Al- doped carbon nanotubes #MMPMID33564274
Bagheri Novir S; Aram MR
Physica E Low Dimens Syst Nanostruct 2021[May]; 129 (ä): 114668 PMID33564274show ga
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.