Temperature-triggered structural arrangement and properties of transparent pectin-arginine films
Transparent and flexible pectin-arginine films with excellent hemocompatibility and self-healing properties were synthesized using ionotropic gelation at 20 °C or 45 °C to investigate the impact of temperature on their structural arrangement and properties. The degree of amidation increased with synthesis temperature, and Fourier transform infrared (FTIR) spectroscopy and proton nuclear magnetic resonance (1H NMR) spectroscopy confirmed…
Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches
This study explores the drug delivery potential of four distinct nanoparticles (NPs)− faujasite (FAU) zeolite, zeolitic imidazolate framework (ZIF-8), graphene oxide (GO), and polyglycerol-modified graphene oxide (PG-GO)− as carriers for allantoin (ALL). Integrating computational and experimental methodologies, we analyzed drug loading capacities, release profiles, and cytotoxicity. The computational results highlighted significant differences in adsorption behavior…
A Computationally Efficient Method to Generate Plausible Conformers for Ensemble Docking and Binding Free Energy Calculations
This study presents a computationally efficient approach to generate plausible protein conformers for ensemble docking to enable evaluations of interactions between ligand and protein for ranking the docked ligands according to their binding affinities. Two binding regions of triose phosphate isomerase (TIM), its catalytic site with DHAP (G. gallus TIM), and its dimer interface with…
Mitoxantrone release from Fmoc-protected amino acids coated magnetic carbon nanotubes: Computational and experimental study for cancer treatment
Nanoparticles have a high potential for use as drug carrier systems in cancer treatment to reduce severe side effects, as in the treatment of many other diseases. Due to their unique properties, carbon-based nanoparticles such as carbon nanotubes (CNTs) are among the most frequently used nanoparticles in drug carrier systems. In this study, magnetic single-walled…
Developing multifunctional pectin-based hydrogel for wound dressing: In silico, in vitro and in vivo evaluation
Multifunctional hydrogel wound dressing with high hemostatic, antioxidant, and self-healing activity is desirable in clinical applications. In this contribution, we developed two distinct hydrogel formulations, namely PZ and PTBA, by employing low methoxyl pectin (P), zeolite, or 2-thiobarbituric acid (TBA) for sustained release of procaine (PC) in a controlled manner up to 40 h. These hydrogel…
Non‐Covalent Functionalization of Magnetic Carbon Nanotubes with Fmoc Amino Acid‐Modified Polyethylene Glycol
Once dispersion and cytotoxicity issues are resolved, it has been proven that carbon nanotubes (CNTs) have great advantages in biomedical applications due to their unique properties. In this study, the superiority of carbon nanotubes was combined with magnetic targeting strategies, and a solution to the distribution problem in the aqueous media of the resulting CNTs…
Single-walled (magnetic) carbon nanotubes in a pectin matrix in the design of an allantoin delivery system
Single-walled carbon nanotubes (SWCNTs) outperform other materials due to their high conductivity, large specific surface area, and chemical resistance. They have numerous biomedical applications, including the magnetization of the SWCNT (mSWCNT). The drug loading and release properties of see-through pectin hydrogels doped with SWCNTs and mSWCNTs were evaluated in this study. The active molecule in…
Tunnel-like region observed as a potential allosteric site in Staphylococcus aureus Glyceraldehyde-3-phosphate dehydrogenase
Glyceraldehyde 3-phosphate dehydrogenase (GAPDH) catalyzing the sixth step of glycolysis has been investigated for allosteric features that might be used as potential target for specific inhibition of Staphylococcus aureus (S.aureus). X-ray structure of bacterial enzyme for which a tunnel-like opening passing through the center previously proposed as an allosteric site has been subjected to six…
Nanopartikül katkılı özel tasarım yara örtüsü: grafen oksit ve modifiye grafen oksit katkılı doğal hidrojellerin potansiyel kullanımı
Çalışmada, yara tedavisinde kullanılmak üzere yara örtüsü tasarımı gerçekleştirilmiştir. Aktif molekül taşıyıcı sistemi olarak doğal bir polimer matris seçilmiş olup, yara iyileşmesini desteklemek amacıyla aday aktif molekül olarak allantoin (ALL) kullanılmıştır. Grafen ve grafen türevleri, biyomedikal uygulamalarda ilgi çekici potansiyele sahip nanomalzemelerdir. Çalışma kapsamında, grafen oksit (GO) ve poligliserol ile modifiye edilmiş grafen oksit (PG-GO)…
Hyaluronic Acid-Enriched Pectin-Based Hydrogel Films for Wound Healing: Hyaluronic Acid-Pectin Hydrogels
2-Thiobarbituric acid addition improves structural integrity and controlled drug delivery of biocompatible pectin hydrogels
Thiolated polymers are commonly preferred for biomedical applications with their good permeation properties providing them higher bioavailability. However, the thiolation process is mostly time-consuming series of chemical reactions. This study describes a simple irreversible thiol group integration to the pectin hydrogels by noncovalent bonding. We used 2-thiobarbituric acid (TBA) for thiolation. We proved with full-atom…
Fmoc-PEG coated single-wall carbon nanotube carriers by non-covalent functionalization: an experimental and molecular dynamics study
Due to their structural characteristics at the nanoscale level, single-walled carbon nanotubes (SWNTs), hold great promise for applications in biomedicine such as drug delivery systems. Herein, a novel single-walled carbon nanotube (SWNT)-based drug delivery system was developed by conjugation of various Fmoc-amino acid bearing polyethylene glycol (PEG) chains (Mw = 2,000, 5,000, and 12,000). In…
Functionalization of carbon nanotubes for the drug delivery in cancer treatment
Theophylline‐loaded pectin‐based hydrogels. I. effect of medium p H and preparation conditions on drug release profile
In this study, a series of theophylline‐loaded calcium pectin gel films were prepared in three different Ca+2 concentrations with three different methods for wound dressing applications. Drug release performance of the films were investigated in four different medium pH in order to mimic wound healing pH conditions. Hydrogel films were characterized by Fourier transform infrared…
Preparation and determination of in vivo and in vitro performance of doxycycline imprinted contact lenses for corneal neovascularization treatment
The aim of this study is to develop doxycycline imprinted contact lenses that will be used in the treatment of corneal neovascularization, which can eventually cause blindness. For this purpose, doxycycline imprinted contact lenses were first prepared, and then they were loaded with doxycycline and their in vitro and in vivo performances were determined. In…