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

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...

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Detalles Bibliográficos
Autores principales: Bagheri Novir, Samaneh, Aram, Mohammad Reza
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7415227/
https://www.ncbi.nlm.nih.gov/pubmed/32834063
http://dx.doi.org/10.1016/j.cplett.2020.137869
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author Bagheri Novir, Samaneh
Aram, Mohammad Reza
author_facet Bagheri Novir, Samaneh
Aram, Mohammad Reza
author_sort Bagheri Novir, Samaneh
collection PubMed
description 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.
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spelling pubmed-74152272020-08-10 Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19 Bagheri Novir, Samaneh Aram, Mohammad Reza Chem Phys Lett Article 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. Elsevier B.V. 2020-10-16 2020-08-09 /pmc/articles/PMC7415227/ /pubmed/32834063 http://dx.doi.org/10.1016/j.cplett.2020.137869 Text en © 2020 Elsevier B.V. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Bagheri Novir, Samaneh
Aram, Mohammad Reza
Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
title Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
title_full Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
title_fullStr Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
title_full_unstemmed Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
title_short Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
title_sort quantum mechanical simulation of chloroquine drug interaction with c60 fullerene for treatment of covid-19
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7415227/
https://www.ncbi.nlm.nih.gov/pubmed/32834063
http://dx.doi.org/10.1016/j.cplett.2020.137869
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