A computational study on the cisplatin drug interaction with boron nitride nanocluster

Onsori, Saeid; Alipour, Elham

doi:10.1016/j.jmgm.2017.12.007

Cited by 46 publications

(11 citation statements)

References 47 publications

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“…Besides delivering the TG and IFO anticancer drugs, BNNC was also reported to be worked as a potential sensor candidate for another anticancer drug cisplatin (CP) which was revealed from a first-principles investigation made by S. Onsori et al [ 365 ]. It was observed that at the most stable interaction, the B 12 N 12 nanocage adsorbed CP drug with an adsorption energy of −14.9 kcal/mol.…”

Section: Boron-based Ldns For Drug Delivery and Sensing Applicationsmentioning

confidence: 99%

“…on biomolecule sensing, drug sensing, and drug delivery. Adsorbate Adsorbent Adsorption energy, E ads in kcal/mol Remarks References Thioguanine B 12 N 12 nanocage −38.85 Potential candidate for Thioguanine drug delivery [ 361 ] Ifosfamide B 12 N 6 C 6 −42.89 Potential candidate for Ifosfamide drug delivery [ 364 ] B 6 N 6 C 12 −45.89 Cisplatin B 12 N 12 nanocage −14.9 Potential candidate for Cisplatin detection [ 365 ] α-Cyano-4-hydroxycinnamic acid B 12 N 12 nanocage −23.7 Potential candidate for α-cyano-4-hydroxycinnamic acid detection [ 366 ] Celecoxib B 12 N 12 nanocage −30.21 Potential candidate for Celecoxib detection [ 367 ] Metformin B 12 N 12 nanocage −37.35 Potential candidate for Metformin detection [ 371 ] GeB 11 N 12 nanocage −37.13 B 16 N 16 nanocage −36.44 Thymine Al doped BN −60.63 Potential candidate for Thymine adsorption [ 306 ] 5-Fluorouracil BNNS −19.59 Potential candidate for 5-fluorouracil and 6-mercapto purine drugs delivery and 6-thioguanine detection [ 99 ] 6-Mercaptopurine …”

Section: Miscellaneous Ldns For Drug Delivery and Sensing Applicationmentioning

confidence: 99%

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The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review

Rahman

Hossain

Ferdous

2020

Journal of Molecular Liquids

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In this review article, we have presented a detailed analysis of the recent advancement of quantum mechanical calculations in the applications of the low-dimensional nanomaterials (LDNs) into biomedical fields like biosensors and drug delivery systems development. Biosensors play an essential role for many communities, e.g. law enforcing agencies to sense illicit drugs, medical communities to remove overdosed medications from the human and animal body etc. Besides, drug delivery systems are theoretically being proposed for many years and experimentally found to deliver the drug to the targeted sites by reducing the harmful side effects significantly. In current COVID-19 pandemic, biosensors can play significant roles, e.g. to remove experimental drugs during the human trials if they show any unwanted adverse effect etc. where the drug delivery systems can be potentially applied to reduce the side effects. But before proceeding to these noble and expensive translational research works, advanced theoretical calculations can provide the possible outcomes with considerable accuracy. Hence in this review article, we have analyzed how theoretical calculations can be used to investigate LDNs as potential biosensor devices or drug delivery systems. We have also made a very brief discussion on the properties of biosensors or drug delivery systems which should be investigated for the biomedical applications and how to calculate them theoretically. Finally, we have made a detailed analysis of a large number of recently published research works where theoretical calculations were used to propose different LDNs for bio-sensing and drug delivery applications.

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Section: Boron-based Ldns For Drug Delivery and Sensing Applicationsmentioning

confidence: 99%

Section: Miscellaneous Ldns For Drug Delivery and Sensing Applicationmentioning

confidence: 99%

The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review

Rahman

Hossain

Ferdous

2020

Journal of Molecular Liquids

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“…Pd and copper (II) phthalocyaninePhototherapy[11,19]2.B 24 N 24 1. 5-Fluoro uracilAnticancer therapy[32]3.B 12 N 12 1. CisplatinAnticancer therapy[33]4.Hollow spheres1.…”

Section: Functional Properties and Biomedical Applicationsmentioning

confidence: 99%

“…It was observed that the introduction of more negative (−11.90 kcal/mol) adsorption energy, the electronic properties of Al-doped BN, are remarkably sensitive to the drug adsorption. Also, the proposed drug release mechanisms indicate that drug and BN cluster is greatly protonated, thereby releasing the drug from the surface of the BN cluster 32. Moreover, the reactivity and electronic sensitivity of the synthesized BN (B 12 N 12 ) nanocluster to cisplatin (CP) anticancer drug had shown favorable for adsorption.…”

Section: Functional Properties and Biomedical Applicationsmentioning

confidence: 99%

<p>Hexagonal Boron Nitrides (White Graphene): A Promising Method for Cancer Drug Delivery</p>

Sharker¹

2019

IJN

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Advances in low-dimensions nanomaterials drug-carrier have rapidly translated into clinical practice. Interestingly, the two-dimensional (2D) nanomaterials of hexagonal boron nitride (h-BN), so-called “white graphite” are relatively less explored compared to the post popular 2D graphene oxide (GO). However, the unique properties of h-BN nanomaterials make them well suited for the delivery of chemotherapeutic in cancer treatment. Recent studies have shown that the h-BN is a potential candidate in biomedical sciences, both as nanocarriers and nano-transducers. In this review, we discuss the various physicochemical properties and important concepts involved in h-BN nanosheets as anticancer drug carriers.

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“…At this point theoretical based assessments of drugs appear as an important tool to conduct more object oriented studies. Density functional theory (DFT) has been widely used to enhance physical, chemical, electronic, spectroscopic, and structural properties of many different fullerene types lately [13][14][15]. In this work, the nature of interaction between the propofol and silicon modified fullerene C60 was investigated by the examination and interpretation of shifts in the OH vibrational band and by the calculation of the adsorption energies (EAds) between the impurity inserted fullerene cage and the propofol.…”

Section: Introductionmentioning

confidence: 99%

A Density Functional Theory Investigation of the Surface Interaction of Propofol Drug With Silicon Decorated C60 Fullerene

Parlak¹,

Alver²

2021

Eskişehir Teknik Üniversitesi Bilim Ve Teknoloji Dergisi B - Teorik Bilimler

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The fullerenes and their derivatives have been widely used for the purpose of drug delivery and sensor applications lately. Within the fullerene family, C60 appears as the most important one due to its versatile physical and chemical properties. Propofol is an important anesthetic drug with reduced cardiovascular risk. In the framework of this study, adsorption properties, the nature of interaction, some important electronic properties including chemical hardness and electrophilicity index of propofol and silicon decorated C60 system were examined. The interaction was also monitored by examining the vibrational spectroscopic changes at the hydroxyl edge of propofol molecule. It was observed that propofol is strongly adsorbed from the hydroxyl site to silicon doped fullerene cage and the complex system became more reactive following the adsorption.

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A computational study on the cisplatin drug interaction with boron nitride nanocluster

Cited by 46 publications

References 47 publications

The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review

The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review

<p>Hexagonal Boron Nitrides (White Graphene): A Promising Method for Cancer Drug Delivery</p>

A Density Functional Theory Investigation of the Surface Interaction of Propofol Drug With Silicon Decorated C60 Fullerene

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