Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study

Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B(24)N(24) nanocage is a drug delivery system. Thus, through density functional theory, the present study analyzed pristine nanocage-CQ interaction and CQ interaction with Si- and Al -doped nanocage. The findin...

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Autores principales: Alharthy, Khalid M., Fadhil Alsaffar, Marwa, Althurwi, Hassan N., Albaqami, Faisal F., Reidh Abass, Russul, Majid Alawi, Aisha, Salah Jalal, Sarah, Tabassum, Shazia, Zhang, Hao, Peng, Wang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2023
Materias:
Short Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9899703/
https://www.ncbi.nlm.nih.gov/pubmed/36777967
http://dx.doi.org/10.1016/j.inoche.2023.110482
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author Alharthy, Khalid M.
Fadhil Alsaffar, Marwa
Althurwi, Hassan N.
Albaqami, Faisal F.
Reidh Abass, Russul
Majid Alawi, Aisha
Salah Jalal, Sarah
Tabassum, Shazia
Zhang, Hao
Peng, Wang
author_facet Alharthy, Khalid M.
Fadhil Alsaffar, Marwa
Althurwi, Hassan N.
Albaqami, Faisal F.
Reidh Abass, Russul
Majid Alawi, Aisha
Salah Jalal, Sarah
Tabassum, Shazia
Zhang, Hao
Peng, Wang
author_sort Alharthy, Khalid M.
collection PubMed
description Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B(24)N(24) nanocage is a drug delivery system. Thus, through density functional theory, the present study analyzed pristine nanocage-CQ interaction and CQ interaction with Si- and Al -doped nanocage. The findings revealed that nanocage doping, particularly with Si and Al, yields more satisfactory drug delivery for CQ due to their greater electronic and energetic characteristics with CQ.
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spelling pubmed-98997032023-02-06 Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study Alharthy, Khalid M. Fadhil Alsaffar, Marwa Althurwi, Hassan N. Albaqami, Faisal F. Reidh Abass, Russul Majid Alawi, Aisha Salah Jalal, Sarah Tabassum, Shazia Zhang, Hao Peng, Wang Inorg Chem Commun Short Communication Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B(24)N(24) nanocage is a drug delivery system. Thus, through density functional theory, the present study analyzed pristine nanocage-CQ interaction and CQ interaction with Si- and Al -doped nanocage. The findings revealed that nanocage doping, particularly with Si and Al, yields more satisfactory drug delivery for CQ due to their greater electronic and energetic characteristics with CQ. Elsevier B.V. 2023-04 2023-02-06 /pmc/articles/PMC9899703/ /pubmed/36777967 http://dx.doi.org/10.1016/j.inoche.2023.110482 Text en © 2023 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 Short Communication
Alharthy, Khalid M.
Fadhil Alsaffar, Marwa
Althurwi, Hassan N.
Albaqami, Faisal F.
Reidh Abass, Russul
Majid Alawi, Aisha
Salah Jalal, Sarah
Tabassum, Shazia
Zhang, Hao
Peng, Wang
Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study
title Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study
title_full Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study
title_fullStr Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study
title_full_unstemmed Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study
title_short Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study
title_sort boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: a dft study
topic Short Communication
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9899703/
https://www.ncbi.nlm.nih.gov/pubmed/36777967
http://dx.doi.org/10.1016/j.inoche.2023.110482
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