Abstract
The most important uses of old fabrics include clothing, mummification, and bookbinding. However, because they are predominantly constructed of natural materials, they are particularly ...susceptible to physical and chemical deterioration brought on by fungi. The treatments that are typically used to preserve old textiles focus on the use of synthetic fungicides, which have the potential to be dangerous for both human health and the environment. Essential oils (EOs), which are safe for the environment and have no negative effects on human health, have been widely advocated as an alternative to conventional antifungals. Four natural fabrics—linen, cotton, wool, and silk—were utilized in the current work. The extracted EO from leaves of river red gum (
Eucalyptus camaldulensis
Dehnh.) were prepared at 125, 250, and 500 µL/L.
Aspergillus flavus
,
Fusarium culmorum
and
Aspergillus niger
were inoculated separately into the treated four fabrics with the EO at concentrations of 125, 250, and 500 µL/L or the main compounds (spathulenol and eucalyptol) at the concentrations of 6, 12, 25, and 50 µL/L and were then compared to the un-treated samples. GC–MS was used to analyze the EO chemical composition, while visual observations and scanning electron microscopic (SEM) were used to study the fungal growth inhibition. Spathulenol (26.56%), eucalyptol (14.91%), and
p
-cymene (12.40%) were the principal chemical components found in
E. camaldulensis
EO by GC–MS. Spathulenol molecule displayed the highest electrostatic potential (ESP) compared with the other primary compound, as calculated by quantum mechanics. In the untreated textile samples, SEM analysis revealed substantial proliferation of hyphae from
A. flavus
,
F. culmorum
, and
A. niger
. The fungal growth was completely inhibited at a concentration of 500 µL/L from the EO. Both eucalyptol and spathulenol completely inhibited the formation of the fungal spores at a concentration of 50 µL/L, although eucalyptol was more effective than spathulenol across the board for all four textiles. The results support
E. camaldulensis
EO functionalized textiles as an effective active antifungal agent.
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•Free unbound iron possibly contributes to the hypercoagulation and inflammation found in severe COVID-19.•The nonapoptotic and immunogenic cell death “ferroptosis” may be a potential ...contributor to the pathogenesis of COVID-19.•The bioactive compound lactoferrin and other iron chelators may provide a high therapeutic value in the treatment of COVID-19.•The relatively lower risk for COVID-19 found in individuals with blood group O may be linked to a lower serum iron status in these individuals.
Iron overload is increasingly implicated as a contributor to the pathogenesis of COVID-19. Indeed, several of the manifestations of COVID-19, such as inflammation, hypercoagulation, hyperferritinemia, and immune dysfunction are also reminiscent of iron overload. Although iron is essential for all living cells, free unbound iron, resulting from iron dysregulation and overload, is very reactive and potentially toxic due to its role in the generation of reactive oxygen species (ROS). ROS react with and damage cellular lipids, nucleic acids, and proteins, with consequent activation of either acute or chronic inflammatory processes implicated in multiple clinical conditions. Moreover, iron-catalyzed lipid damage exerts a direct causative effect on the newly discovered nonapoptotic cell death known as ferroptosis. Unlike apoptosis, ferroptosis is immunogenic and not only leads to amplified cell death but also promotes a series of reactions associated with inflammation. Iron chelators are generally safe and are proven to protect patients in clinical conditions characterized by iron overload. There is also an abundance of evidence that iron chelators possess antiviral activities. Furthermore, the naturally occurring iron chelator lactoferrin (Lf) exerts immunomodulatory as well as anti-inflammatory effects and can bind to several receptors used by coronaviruses thereby blocking their entry into host cells. Iron chelators may consequently be of high therapeutic value during the present COVID-19 pandemic.
A nicotinamide-based derivative was designed as an antiproliferative VEGFR-2 inhibitor with the key pharmacophoric features needed to interact with the VEGFR-2 catalytic pocket. The ability of the ...designed congener ((E)-N-(4-(1-(2-(4-benzamidobenzoyl)hydrazono)ethyl)phenyl)nicotinamide), compound 10, to bind with the VEGFR-2 enzyme was demonstrated by molecular docking studies. Furthermore, six various MD simulations studies established the excellent binding of compound 10 with VEGFR-2 over 100 ns, exhibiting optimum dynamics. MM-GBSA confirmed the proper binding with a total exact binding energy of −38.36 Kcal/Mol. MM-GBSA studies also revealed the crucial amino acids in the binding through the free binding energy decomposition and declared the interactions variation of compound 10 inside VEGFR-2 via the Protein–Ligand Interaction Profiler (PLIP). Being new, its molecular structure was optimized by DFT. The DFT studies also confirmed the binding mode of compound 10 with the VEGFR-2. ADMET (in silico) profiling indicated the examined compound’s acceptable range of drug-likeness. The designed compound was synthesized through the condensation of N-(4-(hydrazinecarbonyl)phenyl)benzamide with N-(4-acetylphenyl)nicotinamide, where the carbonyl group has been replaced by an imine group. The in-vitro studies were consonant with the obtained in silico results as compound 10 prohibited VEGFR-2 with an IC50 value of 51 nM. Compound 10 also showed antiproliferative effects against MCF-7 and HCT 116 cancer cell lines with IC50 values of 8.25 and 6.48 μM, revealing magnificent selectivity indexes of 12.89 and 16.41, respectively.
The term uraemic myopathy has been used loosely to describe the skeletal muscle abnormalities in uraemic patients. However, it does not fully explain the observed abnormalities as recent research has ...documented a normal skeletal muscle physiology in the presence of reduced muscle force, selective structural changes and significant muscle wasting. Ageing is associated with sarcopenia (muscle wasting) and an increase in the prevalence of chronic kidney disease (CKD), which accelerates the normal physiological muscle wasting. Similar to sarcopenia, muscle wasting in uraemic patients appears to be the hallmark of the disease and its aetiology is multifactorial with hormonal, immunologic and myocellular changes, metabolic acidosis, reduced protein intake and physical inactivity. Uraemic sarcopenia presents a high probability for morbidity and mortality and consequently a high priority for muscle wasting prevention and treatment in these patients. Perhaps, the use of the term 'uraemic sarcopenia' would provide recognition by the renal community for this devastating problem. The purpose of this review is to relate the findings of the recent publications that describe abnormalities in uraemic skeletal muscle to the possible pathogenesis of muscle wasting and its consequences in patients with CKD.
Hydrogels are a kind of three dimensional polymeric network system which has a significant amount of water imbibing capacity despite being soluble in it. Because of the potential applications of ...hydrogels in different fields such as biomedical, pharmaceutical, personal care products, biosensors, and cosmetics, it has become a very popular area of research in recent decades. Hydrogels, prepared from synthetic polymers and petrochemicals are not ecofriendly. For preparing biodegradable hydrogels, most available plant polysaccharides like starch are utilized. In its structure, starch has a large number of hydroxyl groups that aid in hydrogel networking. For their easy availability and applications, starch-based hydrogels (SHs) have gained huge attention. Moreover, SHs are non-toxic, biocompatible, and cheap. For these reasons, SHs can be an alternative to synthetic hydrogels. The main focus of this review is to provide a comprehensive summary of the structure and characteristics of starch, preparation, and characterization of SHs. This review also addresses several potential multidimensional applications of SHs and shows some future aspects in accordance.
Graphic abstract
The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the “COVID-19” disease that has been declared by WHO as a global emergency. The pandemic, which emerged in China and widespread ...all over the world, has no specific treatment till now. The reported antiviral activities of isoflavonoids encouraged us to find out its in silico anti-SARS-CoV-2 activity. In this work, molecular docking studies were carried out to investigate the interaction of fifty-nine isoflavonoids against hACE2 and viral Mpro. Several other in silico studies including physicochemical properties, ADMET and toxicity have been preceded. The results revealed that the examined isoflavonoids bound perfectly the hACE-2 with free binding energies ranging from −24.02 to −39.33 kcal mol−1, compared to the co-crystallized ligand (−21.39 kcal mol–1). Furthermore, such compounds bound the Mpro with unique binding modes showing free binding energies ranging from −32.19 to −50.79 kcal mol–1, comparing to the co-crystallized ligand (binding energy = −62.84 kcal mol–1). Compounds 33 and 56 showed the most acceptable affinities against hACE2. Compounds 30 and 53 showed the best docking results against Mpro. In silico ADMET studies suggest that most compounds possess drug-likeness properties.
Sustainable development (SD) will be the driving force to Twenty-first Century as automation was to the Twentieth Century and stream was to Nineteenth Century. There are two levels of sustainability: ...Macro-Level (country, cities) and Micro-Level (manufacturing enterprises and its town and regional areas). In this paper, Micro-Level of sustainability will be discussed. The major challenge of manufacturing enterprises is modelling and assessing the sustainable development performance. Introducing indexes for sustainable development assessment in manufacturing enterprises is important not only to enable them to quantitatively estimate SD, but also to determine the requirements of components for these enterprises to survive. The main objectives addressed in this paper is how to model the required components and how to introduce a new assessment framework for assessing sustainability from lowest levels, dimensions up to sustainable development level according to Micro-Level. The three pillars of sustainability (economic, social and environmental) are modelled, estimated and incorporated into a concept, the so-called 'general sustainable development index'. Based on these concepts, the sustainable models will be analysed and presented through covering all aspects/issues of sustainability. The ultimate goal of this paper is considering the needs of manufacturing enterprise to be sustainable as well as to be globalised through introducing the concept of economic-social-environmental sustainable development and basic attitudes related to creating sustainable development value in engineering practices (economic), social (political) and environmental community. An industry-based case study is used to represent sustainability through aspects, performance metrics, indicators and pillars.
(
)-
-(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide (compound
) was designed as an antiangiogenic VEGFR-2 inhibitor with the essential pharmacophoric structural ...properties to interact with the catalytic pocket of VEGFR-2. The designed derivative was synthesized, and its structure was confirmed through Ms, elemental,
H, and
C spectral data. The potentiality of the designed pyridine derivative to bind with and inhibit the vascular endothelial growth factor receptor-2 (VEGFR-2) enzyme was indicated by molecular docking assessments. In addition, six molecular dynamic (MD) experiments proved its correct binding with VEGFR-2 over 100 ns. Additionally, the molecular mechanics energies, combined with the generalized born and surface area (MM-GBSA) analysis, identified the precise binding with optimum energy. To explore the stability and reactivity of the designed pyridine derivative, density functional theory (DFT) calculations, including electrostatic potential maps and total electron density, were carried out. Additionally, the absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis demonstrated its general likeness and its safety. The designed compound was synthesized to evaluate its effects against VEGFR-2 protein, cancer, and normal cells. The in vitro results were concordant with the in silico results, because the new pyridine derivative (compound
) displayed VEGFR-2 inhibition with an IC
value of 65 nM and displayed potent cytotoxic properties against hepatic (HepG2) and breast (MCF-7) cancer cell lines with IC
values of 21.00 and 26.10 μM, respectively; additionally, it exhibited high selectivity indices against the normal cell lines (W-38) of 1.55 and 1.25, respectively. The obtained results present compound
as a new lead VEGFR-2 inhibitor for further biological investigation and chemical modifications.
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