Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle: An alternative theoretical approach based on DFT and MD

Heravi, Mohammad Reza Poor; Raissi, Heidar; Morsali, Ali; Shahabi, Mahnaz

doi:10.1016/j.apsusc.2017.10.165

Cited by 90 publications

(17 citation statements)

References 51 publications

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“…DFT theory provides a stable structure after the interaction. MD simulations also suggest a greater number of hydrogen bonds at the surface of different types of CNT used [55]. The mechanism of action of nanorobot for the treatment of cancerous cells is explained in Fig.…”

Section: Mechanism On the Function Of Nanorobotsmentioning

confidence: 88%

Utilization of Nanomaterials in Target Oriented Drug Delivery Vehicles

Mandal

Patait

2021

J. Sci. Res.

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The present investigation deals with the fundamentals of nanorobots, its fabrication, and possible utilization in a different target-oriented drug delivery vehicles. Details of various types of nanorobots and their specific applications are studied in this research. The use of nanorobots in cancer treatment, target-oriented drug delivery, medical imaging, and in new health sensing devices has also been studied. The mechanism of action of nanorobots for the treatment of cancerous cells as well as the formulation and working functions of some recently studied nanorobots are investigated in this work. This paper reviews the research in finding the suitable nanorobotic materials, different fabrication processes of nanorobots, and the current status of application of nanorobots in biomedical, especially in the treatment of cancers. Superparamagnetic iron oxide nanoparticles (SPIONs) have been observed to be used as novel drug delivery vehicle materials. The future perspectives of nanorobots for the utilization in drug delivery are also addressed herewith.

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Section: Mechanism On the Function Of Nanorobotsmentioning

confidence: 88%

Utilization of Nanomaterials in Target Oriented Drug Delivery Vehicles

Mandal

Patait

2021

J. Sci. Res.

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“…SWCNTs have applications in delivery of drugs ( Kamel et al, 2018 ), proteins ( Antonucci et al, 2017 ) and siRNA inside target cells ( Ravi Kiran et al, 2020 ). Conjugation of SWCNT with DOX demonstrated better clinical efficacy in comparison to when DOX was used alone.…”

Section: Nanotechnology For Cancer Diagnosismentioning

confidence: 99%

Carbon Based Nanodots in Early Diagnosis of Cancer

et al. 2021

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Detection of cancer at an early stage is one of the principal factors associated with successful treatment outcome. However, current diagnostic methods are not capable of making sensitive and robust cancer diagnosis. Nanotechnology based products exhibit unique physical, optical and electrical properties that can be useful in diagnosis. These nanotech-enabled diagnostic representatives have proved to be generally more capable and consistent; as they selectively accumulated in the tumor site due to their miniscule size. This article rotates around the conventional imaging techniques, the use of carbon based nanodots viz Carbon Quantum Dots (CQDs), Graphene Quantum Dots (GQDs), Nanodiamonds, Fullerene, and Carbon Nanotubes that have been synthesized in recent years, along with the discovery of a wide range of biomarkers to identify cancer at early stage. Early detection of cancer using nanoconstructs is anticipated to be a distinct reality in the coming years.

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“…Finally, from the MD simulations, it was found that the addition of ethanol with 0.5 M concentration increases the stability of the simulation system. However, another study lead by this group, M. Kamel et al, investigated the COOH functionalized SWCNT to use as a drug carrier for flutamide drug [ 194 ]. In that study, they have found that the flutamide drug can be adsorbed in the SWCNT with a maximum adsorption energy of −5.38 kcal/mol in the water solvent where the dipole moment of the structure was found as 10.93 debye with a bandgap of 1.28 eV.…”

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

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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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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Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle: An alternative theoretical approach based on DFT and MD

Cited by 90 publications

References 51 publications

Utilization of Nanomaterials in Target Oriented Drug Delivery Vehicles

Utilization of Nanomaterials in Target Oriented Drug Delivery Vehicles

Carbon Based Nanodots in Early Diagnosis of Cancer

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

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