Theoretical study of interaction between aspirine drug and Al-soped graphene nanostructure toward designing of suitable nanocarrier for drug delivery
نویسندگان
چکیده مقاله:
Background: In recent years, the unique physical and chemical properties of carbon nanostructures has led to many advancements in various fields, including chemistry and pharmaceuticals. Graphene is one of the carbon nanostructures which have attracted significant attention from researchers in adsorption and release of various drugs. Due to the high surface area of graphene, it can be used as a biological carrier in drug delivery. In this study, the interaction of aspirin with a graphene sheet doped with aluminum (graphene-aluminum) and possibility of stable complex formation between them were investigated using the theoretical study. Materials and methods: The performance of carbon nanostructures for adsorption of aspirin on graphene-aluminum was evaluated using quantum computation. The calculations were performed using density functional theory modified with dispersion forces (DFT-D) and basic functions by using of ORCA software. Results: Adsorption energy and electronic structure of aspirin /graphene-aluminum system were calculated. The measured adsorption energy and bond distance were −53.08 (kcal/mol) and 1.888 Å, respectively. The distribution of electron charge also indicated the continuity of electron clouds between drugs and nanostructure. Conclusion: The results showed that a strong bond formed between aspirin and graphene-aluminum and the complex formed in the aqueous medium was thermodynamically stable. Regarding the possibility of stable complex formation, graphene-aluminum was expected to be suitable nanocarier for delivery of aspirin to target cells.
منابع مشابه
comparative dna interaction studies of antiviral drug, zidovudine and its complex using different instrumental methods
هدف از این مطالعه بررسی امکان استفاده از داروهای شناخته شده در درمان سایر بیماریها به عنوان داروهای ضد سرطان است. همچنین با استفاده از این داروها در ساختمان کمپلکس فلز می توان شاخص های دارویی بدست آمده را بررسی نمود. داروی ضد ویروس ایدز(hiv)به نام زیدوودین(azt)انتخاب و.کمپلکس.محلول.در.آب[pt(azt)2]cl2سنتزو به روشهای مختلف فیزیکی و شیمیایی شناسایی گردید. بر هم کنش مقایسه ای این دارو و کمپلکس پلا...
15 صفحه اولTheoretical Study of Drug Delivery Ability of Carbon INanotube
Nowadays apphcanon of nanotubes in biology and medicinal science is more investigated. Nanotubes can passthroueh cell walls and transport and release drugs in special tissues. The purpose of this paper is to investigatethe interaction of a nanotube having hydroxyl functional groups (OH) with an anticancer agent. In this worktransporting of an anticancer drug named 2-(2-amino 6,7-dimethyl Pterid...
متن کاملethosome: a nanocarrier for transdermal drug delivery
ethosomes are a novel and alternative drug delivery systems and currently the focus of many research activities. ethosomes are soft, flexible vesicles that are composed mainly of phospholipids, ethanol and water. ethosomes can provide better skin permeation than liposomes and deliver enhanced amounts of both small and large therapeutic agents through skin and targeting to deeper skin layers for...
متن کاملthe study of practical and theoretical foundation of credit risk and its coverage
پس از بررسی هر کدام از فاکتورهای نوع صنعت, نوع ضمانت نامه, نرخ بهره , نرخ تورم, ریسک اعتباری کشورها, کارمزد, ریکاوری, gdp, پوشش و وثیقه بر ریسک اعتباری صندوق ضمانت صادرات ایران مشخص گردید که همه فاکتورها به استثنای ریسک اعتباری کشورها و کارمزد بقیه فاکتورها رابطه معناداری با ریسک اعتباری دارند در ضمن نرخ بهره , نرخ تورم, ریکاوری, و نوع صنعت و ریسک کشورها اثر عکس روی ریسک اعتباری داردو پوشش, وثی...
15 صفحه اولMagnetic Graphene Oxide Nanocarrier as a drug delivery vehicle for MRI monitored magnetic targeting of rat brain tumors
Introduction: Glioblastoma multiform is the most common malignant brain tumor, with an invasive nature. Despite the development of conventional therapies such as surgery, radiotherapy and chemotherapy, because of high recurrence rates, the prognosis remains very poor. Over the last decade, nanotechnology has represented an innovative method as nanoparticle-based drug delivery ...
متن کاملBiomimetic nanocarrier for direct cytosolic drug delivery.
The ability to transport a large quantity of drug molecules into cytosolic compartments of cancer cells has powerful implications in modern molecular therapeutics because the sites of action of the drugs are often cytosolic organelles. Furthermore, direct cytosolic delivery might offer a means to evade efflux transporters, such as multidrug-resistance proteins and P-glycoproteins. Nanoparticle ...
متن کاملمنابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ذخیره در منابع من قبلا به منابع من ذحیره شده{@ msg_add @}
عنوان ژورنال
دوره 30 شماره 2
صفحات 141- 154
تاریخ انتشار 2020-06
با دنبال کردن یک ژورنال هنگامی که شماره جدید این ژورنال منتشر می شود به شما از طریق ایمیل اطلاع داده می شود.
کلمات کلیدی برای این مقاله ارائه نشده است
میزبانی شده توسط پلتفرم ابری doprax.com
copyright © 2015-2023