Surface functionalization of boron nitride nanosheet with folic acid: Toward an enhancement in Doxorubicin anticancer drug loading performance

Nazari, Safar Ali; Farzad, Farzaneh; Haghi, Ahmad; Bina, Ali

doi:10.1016/j.jmgm.2021.108041

Cited by 4 publications

(2 citation statements)

References 48 publications

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“…Atomistic simulations and the design of SNS structure are carried out by the GuassView program and optimized using the Gaussian 09 software package. 29 Fig. 1 demonstrates a scheme of the SNS model consisting 680 silicon atoms with sp 3 hybridization.…”

Section: Methodsmentioning

confidence: 99%

Insights into glyphosate removal efficiency using a new 2D nanomaterial

2022

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Section: Methodsmentioning

confidence: 99%

Insights into glyphosate removal efficiency using a new 2D nanomaterial

2022

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“… [32] used molecular dynamic simulation to investigate the interaction of BN nanosheet with cell membranes. Furthermore, BN nanosheet investigated as a drug carrier for cisplatin [13] , Doxorubicin [33] , Flutamide [34] using DFT. Rakib et al investigated the adsorption behaviour of metronidazole drug with the boron nitride and boron carbide nanosheets and claimed that BN may be used as drug carrier for metronidazole drug [35] .…”

Section: Introductionmentioning

confidence: 99%

Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches

Piya

Ahmed

Khaleque

et al. 2022

Computational and Theoretical Chemistry

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Exploring the potential use of natural polymers to enhance the performance of MXene/MOF-5 nanocarrier in loading and co-loading of doxorubicin and curcumin

Bina,

Raissi,

Zaboli

2023

Polym. Bull.

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The adsorption of the two anti-cancer drugs doxorubicin (Dox) and curcumin (Cur) and also the simultaneous loading of both drugs on the surface of the innovative inorganic nanostructure MXene/MOF-5 (Mxn-MOF) was investigated using the molecular dynamics (MD) simulation method. In order to study the loading process in presence of polymer, two chitosan and alginate polymers were adsorbed on the carrier, and then the loading of drugs was investigated. Descriptors such as van der Waals energy (vdw), radial distribution function (RDF), and mean square displacement (MSD) were utilized. The values of interaction energies and RDF for the studied systems show that the adsorption of drug molecules in systems containing polymer is better than in pristine ones. It was found that the type of adsorbed polymer on the Mxn-Mof nanostructure has a noticeable effect on the interaction energy between Cur and Dox drugs with the carrier. The obtained results con rmed that increasing the number of drug molecules affects the loading and adsorption process. The analyzes show that in the co-loading system, the most stable complex with an average binding energy of -662.75 kJ /mol belongs to the Mxn-MOF-Chi-Dox/Cur system. The investigation of the studied systems con rms that in the presence of chitosan polymer, the adsorption of drug molecules is stronger in comparison to alginate polymer. The results obtained from this study provide detailed information about the interaction of polymeric drug compounds and nanocarriers at the atomic level, which can be useful in the design of intelligent drug delivery systems.

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Surface functionalization of boron nitride nanosheet with folic acid: Toward an enhancement in Doxorubicin anticancer drug loading performance

Cited by 4 publications

References 48 publications

Insights into glyphosate removal efficiency using a new 2D nanomaterial

Insights into glyphosate removal efficiency using a new 2D nanomaterial

Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches

Exploring the potential use of natural polymers to enhance the performance of MXene/MOF-5 nanocarrier in loading and co-loading of doxorubicin and curcumin

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