In vitro and in silico investigations of drug delivery via zeolite BEA

2011 ◽  
Vol 21 (21) ◽  
pp. 7789 ◽  
Author(s):  
Dimitrios G. Fatouros ◽  
Dennis Douroumis ◽  
Vladimiros Nikolakis ◽  
Spyridon Ntais ◽  
Anastasia Maria Moschovi ◽  
...  
Keyword(s):  
Drug Delivery ◽  
In Silico

Recent In Vitro and In Silico Advances in the Understanding of Intranasal Drug Delivery

2020 ◽  
Vol 26 ◽  
Author(s):  
John Chen ◽  
Andrew Martin ◽  
Warren H. Finlay
Keyword(s):  
Drug Delivery ◽  
In Silico ◽  
Local Drug Delivery ◽  
In Vivo Studies ◽  
Intranasal Drug Delivery ◽  
Nasal Sprays ◽  
In Silico Studies ◽  
Drug Delivery Devices

Background: Many drugs are delivered intranasally for local or systemic effect, typically in the form of droplets or aerosols. Because of the high cost of in vivo studies, drug developers and researchers often turn to in vitro or in silico testing when first evaluating the behavior and properties of intranasal drug delivery devices and formulations. Recent advances in manufacturing and computer technologies have allowed for increasingly realistic and sophisticated in vitro and in silico reconstructions of the human nasal airways. Objective: To perform a summary of advances in understanding of intranasal drug delivery based on recent in vitro and in silico studies. Conclusion: The turbinates are a common target for local drug delivery applications, and while nasal sprays are able to reach this region, there is currently no broad consensus across the in vitro and in silico literature concerning optimal parameters for device design, formulation properties and patient technique which would maximize turbinate deposition. Nebulizers are able to more easily target the turbinates, but come with the disadvantage of significant lung deposition. Targeting of the olfactory region of the nasal cavity has been explored for potential treatment of central nervous system conditions. Conventional intranasal devices, such as nasal sprays and nebulizers, deliver very little dose to the olfactory region. Recent progress in our understanding of intranasal delivery will be useful in the development of the next generation of intranasal drug delivery devices.

scholarly journals Niosomes: A Novel Targeted Drug Delivery System

2021 ◽  
Author(s):  
Iman Akbarzadeh ◽  
Kamand Sedaghatnia ◽  
Mahsa Bourbour ◽  
Zahra Moghaddam ◽  
Maryam Moghtaderi ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Targeted Drug Delivery ◽  
In Silico ◽  
Metallic Nanoparticles ◽  
Drug Delivery Systems ◽  
Delivery Systems ◽  
Structure Characterization ◽  
Targeted Drug

Nanotechnology is making significant transformation to our world, especially in healthcare and the treatment of diseases. It is widely used in different medical applications, such as in treatment and detection. Targeting diseased cell with nanomedicines is one of the numerous applications of nanotechnology. Targeted drug delivery systems for delivering various types of drugs to specific sites are such a dynamic area in pharmaceutical biotechnology and nanotechnology. Compared to conventional drugs, nanomedicines have a higher absorption and bioavailability rate, improving efficacy and minimizing side effects. There are several drug delivery systems including metallic nanoparticles, polymers, liposomes, and microspheres, but one of the most important is the niosomes, which are produced by nonionic surfactants. Because of the amphiphilic nature and structure, hydrophilic or hydrophobic drugs can be loaded into niosome structures. Other compounds, including cholesterol, can also be applied to the niosomes' backbone to rigidize the structure. Several variables such as the type of surfactant in niosome production, the preparation method, and the hydration temperature can affect the structure of the niosomes. Nevertheless, in-silico design of drug delivery formulations requires molecular dynamic simulation tools, molecular docking, and ADME (absorption; distribution; excretion; metabolism) properties, which evaluate physicochemical features of formulation and ADME attitudes before synthesis, investigating the interaction between nano-carriers and specific targets. Hence, experimenting in-vitro and in-vivo is essential. In this review, the basic aspects of niosomes are described including their structure, characterization, preparation methods, optimization with in-silico tools, factors affecting their formation, and limitations.

In Vitro–In Silico Modeling Approach to Rationally Designed Simple and Versatile Drug Delivery Systems

2020 ◽  
Vol 124 (28) ◽  
pp. 5788-5800 ◽  
Author(s):  
Belén L. Bouzo ◽  
Martín Calvelo ◽  
Manuel Martín-Pastor ◽  
Rebeca García-Fandiño ◽  
María de la Fuente
Keyword(s):  
Drug Delivery ◽  
In Silico ◽  
Drug Delivery Systems ◽  
Delivery Systems ◽  
Modeling Approach ◽  
In Silico Modeling

scholarly journals A quantitative in silico platform for simulating cytotoxic and nanoparticle drug delivery to solid tumours

2019 ◽  
Vol 9 (3) ◽  
pp. 20180063 ◽  
Author(s):  
Peter A. Wijeratne ◽  
Vasileios Vavourakis
Keyword(s):  
Drug Delivery ◽  
In Silico ◽  
Fluid Velocity ◽  
Three Dimensional ◽  
Tumour Regression ◽  
High Porosity ◽  
Heterogeneous Distribution ◽  
Nanoparticle Drug Delivery

The role of tumour–host mechano-biology and the mechanisms involved in the delivery of anti-cancer drugs have been extensively studied using in vitro and in vivo models. A complementary approach is offered by in silico models, which can also potentially identify the main factors affecting the transport of tumour-targeting molecules. Here, we present a generalized three-dimensional in silico modelling framework of dynamic solid tumour growth, angiogenesis and drug delivery. Crucially, the model allows for drug properties—such as size and binding affinity—to be explicitly defined, hence facilitating investigation into the interaction between the changing tumour–host microenvironment and cytotoxic and nanoparticle drugs. We use the model to qualitatively recapitulate experimental evidence of delivery efficacy of cytotoxic and nanoparticle drugs on matrix density (and hence porosity). Furthermore, we predict a highly heterogeneous distribution of nanoparticles after delivery; that nanoparticles require a high porosity extracellular matrix to cause tumour regression; and that post-injection transvascular fluid velocity depends on matrix porosity, and implicitly on the size of the drug used to treat the tumour. These results highlight the utility of predictive in silico modelling in better understanding the factors governing efficient cytotoxic and nanoparticle drug delivery.

In vitro–in vivo–in silico simulation studies of anti-tubercular drugs doped with a self nanoemulsifying drug delivery system

RSC Advances ◽  
2016 ◽  
Vol 6 (95) ◽  
pp. 93147-93161 ◽  
Author(s):  
Afzal Hussain ◽  
Sandeep Kumar Singh ◽  
Neeru Singh ◽  
Priya Ranjan Prasad Verma
Keyword(s):  
Drug Delivery ◽  
Drug Delivery System ◽  
Delivery System ◽  
In Silico ◽  
Simulation Studies ◽  
System P ◽  
In Silico Simulation

This study aimed to formulate a self-nanoemulsifying drug delivery system (SNEDDS) for enhanced pharmacokinetic (PK) behavior of rifampicin and isoniazid using excipients holding innate anti-mycobacterial activity followed within vivo–in silicopredictions using GastroPlus™.

In Silico Molecular Interaction Studies of Chitosan Polymer with Aromatase Inhibitor: Leads to Letrozole Nanoparticles for the Treatment of Breast Cancer

2020 ◽  
Vol 20 ◽  
Author(s):  
Keerti Mishra ◽  
Sant Kumar Verma ◽  
Pooja Ratre ◽  
Laxmi Banjare ◽  
Abhishek Jain ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Drug Delivery ◽  
Binding Energy ◽  
Molecular Interaction ◽  
In Silico ◽  
Encapsulation Efficiency ◽  
Drug Loading ◽  
Chitosan Nanoparticles ◽  
Prolonged Release

Background: It takes lot more studies to evaluate the molecular interaction of nanoparticles with the drug, their drug delivery potential and release kinetics. Thus, we have taken in silico and in vitro approaches into the account for the evaluation of drug delivery ability of the chitosan nanoparticles. Objective: The present work was aimed to develop the interaction of chitosan nanoparticles with appropriate aromatase inhibitors using in-silico tools. Further, synthesis and characterization of chitosan nanoparticles having optimal binding energy and affinity between drug and polymer in terms of size, encapsulation efficiency was carried out. Methods: In current study, molecular docking was used to map the molecular interactions and estimation of binding energy involved between the nanoparticles and the drug molecules in silico. Letrozole is used as a model cytotoxic agent currently being used clinically, hence Letrozole loaded chitosan nanoparticles were formulated and characterized using photomicroscope, particle size analyzer, scanning electron microscope and fourier transform infra-red spectroscopy. Results: Letrozole had the second highest binding affinity within the core of chitosan with MolDock (-102.470) and Rerank (-81.084) scores. Further, it was investigated that formulated nanoparticles were having superior drug loading capacity and high encapsulation efficiency. In vitro drug release study exhibited prolonged release of the drug from chitosan nanoparticles. Conclusion: Results obtained from the in silico and in vitro studies suggest that Letrozole loaded nanoparticles are ideal for breast cancer treatment.

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