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

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About: Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19 Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
Creator	Aram, Mohammad Novir, S Novir, Samaneh
Source	Elsevier; Medline; PMC
abstract	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.
has issue date	2020-08-09(xsd:dateTime)
bibo:doi	10.1016/j.cplett.2020.137869
bibo:pmid	32834063
has license	no-cc
sha1sum (hex)	e4d73f831bd46755954315b8ffacef00ea259d93
schema:url	https://doi.org/10.1016/j.cplett.2020.137869
resource representing a document's title	Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
has PubMed Central identifier	PMC7415227
has PubMed identifier	32834063
schema:publication	Chem Phys Lett
resource representing a document's body	covid:e4d73f831bd46755954315b8ffacef00ea259d93#body_text
is schema:about of	named entity 'COVID-19 INFECTION' named entity 'drug interaction' named entity 'COVID' named entity 'Chloroquine' named entity 'COVID-19' named entity 'drug interaction' named entity 'atomic charges' named entity 'rheumatoid arthritis' named entity 'adsorption' named entity 'SOMO' named entity 'atom' named entity 'atom' named entity 'nanomaterials' named entity 'kcal' named entity 'chloroquine' named entity 'C60 fullerene' named entity 'solvation' named entity 'DFT' named entity 'chloroquine' named entity 'fullerene' named entity 'ECT' named entity 'LUMO energy' named entity 'Esol' named entity 'infection' named entity 'adsorption' named entity 'fullerene' named entity 'respiratory diseases' named entity 'COVID' named entity 'dopant' named entity 'solvent' named entity 'clinical investigations' named entity 'Sjogren syndrome' named entity 'anti-malarial drug' named entity 'dopant' named entity 'molecule' named entity 'Singly Occupied Molecular Orbital' named entity 'kcal' named entity 'carbon' named entity 'chemical hardness' named entity 'nanomaterials' named entity 'dopant' named entity 'fullerenes' named entity 'atom' named entity 'atomic charges' named entity 'fullerene' named entity 'chloroquine' named entity 'gaseous phase' named entity 'corona virus disease' named entity 'dipole moment' named entity 'fullerene' named entity 'carbon nanotubes' named entity 'soluble in water' named entity 'drug delivery systems' named entity 'adsorption' named entity 'atom' named entity 'nanotechnology' named entity 'C60 fullerene' named entity 'C-C' named entity 'ECT' named entity 'dopant' named entity 'fullerene' named entity 'electronegativity' named entity 'active sites' named entity 'chloroquine' named entity 'solvent' named entity 'C60 fullerene' named entity 'atomic charges' named entity 'solvation energies' named entity 'chloroquine' named entity 'fullerene' named entity 'positive charge' named entity 'chloroquine' named entity 'fullerene' named entity 'solvation' named entity 'chloroquine' named entity 'fullerene' named entity 'solvent' named entity 'boron' named entity 'cellular uptake'

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