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Deprecated: Implicit conversion from float 243.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Chem+Phys+Lett 2020 ; 757 (ä): 137869 Nephropedia Template TP
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Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19 #MMPMID32834063
Bagheri Novir S; Aram MR
Chem Phys Lett 2020[Oct]; 757 (ä): 137869 PMID32834063show ga
Chloroquine (CQ) has been reported as an effective drug in the control of COVID-19 infection. Since C60 fullerene has been considered as a drug delivery system, the interaction between pristine fullerene and chloroquine drug and also the interaction between B, Al, Si doped fullerene and chloroquine drug have been investigated based on the density functional theory calculations. The results of this study show that the doped fullerene, especially Al and Si doped fullerene could be the better drug delivery vehicles for chloroquine drug because of their relatively better energetic and electronic properties with chloroquine.