Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19

[Display omitted] •DFT calculations have been performed to study the interactions between doped C60 with chloroquine.•Adsorption of chloroquine on the doped C60 fullerene is more thermodynamically favorable.•AlC59…chloroquine complex shows the most negative binding energy. Chloroquine (CQ) has been...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Chemical physics letters 2020-10, Vol.757, p.137869-137869, Article 137869
Hauptverfasser:	Bagheri Novir, Samaneh, Aram, Mohammad Reza
Format:	Artikel
Sprache:	eng
Schlagworte:	Chloroquine COVID-19 DFT Drug delivery Fullerene
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!