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

Khalid M. Alharthy; Marwa Fadhil Alsaffar; Hassan N. Althurwi; Faisal F. Albaqami; Russul Reidh Abass; Aisha Majid Alawi; Sarah Salah Jalal; Shazia Tabassum; Hao Zhang; Wang Peng

doi:10.1016/j.inoche.2023.110482

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

Khalid M. Alharthy, Marwa Fadhil Alsaffar, Hassan N. Althurwi, Faisal F. Albaqami, Russul Reidh Abass, Aisha Majid Alawi, Sarah Salah Jalal, Shazia Tabassum, Hao Zhang, Wang Peng

Pharmacology

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B₂₄N₂₄ 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.

Original language	English
Article number	110482
Journal	Inorganic Chemistry Communications
Volume	150
DOIs	https://doi.org/10.1016/j.inoche.2023.110482
State	Published - Apr 2023

Keywords

Chloroquine
COVID-19
Delivery
Nanocage

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10.1016/j.inoche.2023.110482

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Alharthy, K. M., Fadhil Alsaffar, M., Althurwi, H. N., Albaqami, F. F., Reidh Abass, R., Majid Alawi, A., Salah Jalal, S., Tabassum, S., Zhang, H., & Peng, W. (2023). Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study. Inorganic Chemistry Communications, 150, Article 110482. https://doi.org/10.1016/j.inoche.2023.110482

@article{4ae2176c62b54f2fa903547212ba76c0,

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

abstract = "Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B24N24 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.",

keywords = "Chloroquine, COVID-19, Delivery, Nanocage",

author = "Alharthy, \{Khalid M.\} and \{Fadhil Alsaffar\}, Marwa and Althurwi, \{Hassan N.\} and Albaqami, \{Faisal F.\} and \{Reidh Abass\}, Russul and \{Majid Alawi\}, Aisha and \{Salah Jalal\}, Sarah and Shazia Tabassum and Hao Zhang and Wang Peng",

note = "Publisher Copyright: {\textcopyright} 2023 Elsevier B.V.",

year = "2023",

month = apr,

doi = "10.1016/j.inoche.2023.110482",

language = "English",

volume = "150",

journal = "Inorganic Chemistry Communications",

issn = "1387-7003",

publisher = "Elsevier B.V.",

}

Alharthy, KM, Fadhil Alsaffar, M, Althurwi, HN , Albaqami, FF, Reidh Abass, R, Majid Alawi, A, Salah Jalal, S, Tabassum, S, Zhang, H & Peng, W 2023, 'Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study', Inorganic Chemistry Communications, vol. 150, 110482. https://doi.org/10.1016/j.inoche.2023.110482

TY - JOUR

T1 - Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease

T2 - A DFT study

AU - Alharthy, Khalid M.

AU - Fadhil Alsaffar, Marwa

AU - Althurwi, Hassan N.

AU - Albaqami, Faisal F.

AU - Reidh Abass, Russul

AU - Majid Alawi, Aisha

AU - Salah Jalal, Sarah

AU - Tabassum, Shazia

AU - Zhang, Hao

AU - Peng, Wang

PY - 2023/4

Y1 - 2023/4

N2 - Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B24N24 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.

AB - Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B24N24 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.

KW - Chloroquine

KW - COVID-19

KW - Delivery

KW - Nanocage

UR - http://www.scopus.com/inward/record.url?scp=85148595481&partnerID=8YFLogxK

U2 - 10.1016/j.inoche.2023.110482

DO - 10.1016/j.inoche.2023.110482

M3 - Article

AN - SCOPUS:85148595481

SN - 1387-7003

VL - 150

JO - Inorganic Chemistry Communications

JF - Inorganic Chemistry Communications

M1 - 110482

ER -

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

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