Corresponding to the reported features of anti-VEGFR-2-approved compounds, a new 1H-indole derivative (compound 7) was designed. The inhibitory potential of the designed compound was revealed via a molecular docking study that showed the appropriate binding. Then, MD simulation (six studies) over a period of 100 ns was performed to confirm the precise binding and optimum energy. Additionally, MM-GBSA reaffirmed the perfect binding, exhibiting a total precise energy of −40.38 Kcal/Mol. The MM-GBSA experiments named the essential amino acids in the protein−ligand interaction, employing the binding energy decomposition and revealing the diversity of interactions of compound 7 inside the VEGFR-2 enzyme. As compound 7 is new, DFT experiments were utilized for molecular structure optimization. Additionally, the DFT results validated the coherent interaction of compound 7 with the VEGFR-2 enzyme. A good value of drug-likeness of compound 7 was acknowledged via in silico ADMET studies. Interes... [more]

Lichens produce a large variety of secondary metabolites with diverse bioactivities, chemical structures, and physicochemical properties. For this reason, there is a growing interest in the use of lichen-derived bioactive molecules for drug discovery and development. Here, we report on the isolation, identification, and cytotoxic evaluation of gyrophoric acid (GA) from the lichen Umbilicaria muhlenbergii, a largely unexplored and scantly described lichen species. A simple purification protocol was developed for the fractionation of lichen crude extracts with silica gel column chromatography using solvents with changing polarity. GA was identified in one of the fractions with Fourier transform infrared spectroscopy (FTIR), ion trap mass spectrometry (MS), and nuclear magnetic resonance spectroscopy (1H-NMR and 13C-NMR). The FTIR spectra demonstrated the presence of aromatic and ester functional groups C=C, C-H, and C=O bonds, with the most remarkable signals recorded at 1400 cm−1 for th... [more]

COVID-19 infection is associated with elevated oxidative stress, systemic hyper-inflammatory responses, endothelial dysfunction, and red blood cell membrane deformability. Nigella sativa extract is widely used in alternative and complementary medicine systems in a large population, due to its highly therapeutic, economic, natural, and safe nature. The aim of this study was to evaluate the effect of N. sativa extract on oxidative stress, hemolysis, proteolysis, and glycation through in vitro studies, as well as to find out its anti-viral potential against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) using in silico studies. N. sativa seed extract (at 600 µg/mL) displayed 67.33% scavenging activity in the 2,2-diphenyl-1-picrylhydrazyl (DPPH) test, and 70.28% hydrogen peroxide reducing activity. N. sativa exhibited anti-proteolytic activity by decreasing heat-induced denaturation of bovine serum albumin (BSA) and egg albumin by 63.14% and 57.95%, respectively, and exhibite... [more]

Water-based propolis extracts usually contain up to 10-fold lower quantities of active ingredients due to poor solubility in water of propolis bioactive compounds when compared with ethanol-based extracts. Since ethanol-based extracts are of limited use, water-based extracts are preferred nowadays. The application of alternative extraction techniques should be evaluated to improve extraction efficiency. Aqueous propolis extracts were prepared using purified water and propylene glycol, 2-hydroxypropyl-beta-cyclodextrin and sodium bicarbonate aqueous solutions. A microwave-assisted extraction method was applied in cycles. The total concentration of hydroxycinnamic acids in aqueous propolis extract produced by four extraction cycles was determined to be 1502.1 ± 130.1 μg/mL and 20% propylene glycol, 10% 2-hydroxypropyl-beta-cyclodextrin and 5% sodium bicarbonate aqueous solutions, increasing the total concentration of hydroxycinnamic acids by 1.6, 1.7 and 1.9-fold, respectively. An applic... [more]

The prevalence of gastric ulcers has increased in recent years, mainly because of non-steroidal anti-inflammatory drug utilization. Therefore, the current study investigates the gastroprotective effect of p-Cymene on absolute ethanol-induced acute gastric mucosal hemorrhagic lesions in rats. Thirty Sprague Dawley rats were randomly separated into five groups: normal control, ulcer control, reference, and two experimental groups. The normal and ulcer control groups were orally fed with 0.5% carboxymethylcellulose (CMC). The reference group was fed orally with 20 mg/kg omeprazole. The experimental groups were fed with 30 mg/kg and 60 mg/kg p-Cymene, respectively. After one hour, the normal group was fed with 0.5% CMC, and groups 2−5 were given absolute alcohol. After another hour all rats were sacrificed. The ulcer control group showed severe superficial hemorrhagic gastric mucosal lesions with decreased gastric mucus secretion and pH of gastric content. p-Cymene significantly reduced et... [more]

An electrochemical method for the determination of the catalytic activity of L-asparaginase (ASNase) from Erwinia carotovora was proposed. Our approach is based on the electrooxidation of amino acids from L-asparaginase polypeptide backbones. The electrochemical behavior of ASNase on electrodes obtained by screen-printing modified with single-wall carbon nanotubes (SPE/SWCNTs) as sensing elements demonstrated a broad oxidation peak at 0.5−0.6 V centered at 0.531 ± 0.010 V. We have shown that in the presence of the substrate L-asparagine, the oxidation current of the enzyme was reduced in a concentration-dependent manner. The specificity of electrochemical analysis was confirmed in experiments with glycine, an amino acid with no substrate activity on ASNase and does not reduce the oxidation peak of L-asparaginase. The addition of glycine did not significantly influence the amplitude of the oxidation current. The innovative aspects of the proposed electrochemical sensor are the direct mo... [more]

In the last decade, the green synthesis of nanoparticles has had a prominent role in scientific research for industrial and biomedical applications. In this current study, silver nitrate (AgNO3) was reduced and stabilized with an aqueous extract of Thelypteris glandulosolanosa (Raqui-raqui), forming silver nanoparticles (AgNPs-RR). UV-vis spectrophotometry, dynamic light scattering (DLS), and scanning transmission electron microscopy (STEM) were utilized to analyze the structures of AgNPs-RR. The results from this analysis showed a characteristic peak at 420 nm and a mean hydrodynamic size equal to 39.16 nm, while the STEM revealed a size distribution of 6.64−51.00 nm with an average diameter of 31.45 nm. Cellular cytotoxicity assays using MCF-7 (ATCC® HTB-22™, mammary gland breast), A549 (ATCC® CCL-185, lung epithelial carcinoma), and L929 (ATCC® CCL-1, subcutaneous connective tissue of Mus musculus) demonstrated over 42.70% of MCF-7, 59.24% of A549, and 8.80% of L929 cells had cell d... [more]

Antibacterial agents derived from classic organic compounds have been frequently employed for a number of years as a protective layer for biofilms. On the other hand, these agents often comprise dangerous components that, due to their interaction with toxic compounds, may be damaging to human beings. This hazard may be caused by the agents’ proximity to the toxic substances. Over the course of the past three decades, a variety of approaches, such as the utilization of a broad spectrum of metallic and oxide materials, have been the subject of research in order to develop a diverse selection of antibacterial coating layers that are acceptable. One of these approaches is the use of silver nanoparticles. It has been established that the cold spray technique, a solid-state method compatible with nanopowders, has shown higher performance and is the most effective strategy for coating materials. This has been proven via testing. It is possible to produce one-of-a-kind material coatings in way... [more]

(1) Background: Hedera nepalensis (Araliaceae) is a recognized medicinal plant founded in Asia that has been reported to work in antioxidant, antifungal, antimicrobial, and antitumor capacities. (2) Methods: The subcritical fluid extraction of saponin from Hedera nepalensis leaves and the optimum of the extraction process based on yield of saponin contents (by calculating the hederacoside C contents in dried Hedera nepalensis leaves) are examined by response surface methodology (RSM). Furthermore, the antimicrobial activity of the extract is tested for potential drug applications in the future. (3) Results: Based upon RSM data, the following parameters are optimal: extraction time of 3 min, extraction temperature of 150 °C, and a sample/solvent ratio of 1:55 g/mL. Under such circumstances, the achieved yield of saponin is 1.879%. Moreover, the extracts inhibit the growth of some bacterial strains (Streptococcus pneumoniae, Streptococcus pyogenes, Haemophilus influenza) at a moderate to... [more]

Asthma is an incurable pulmonary disease with several symptoms, including abnormal breathing, coughing, and sleep apnea, which can lead to death, and the population of asthma patients has been increasing worldwide. There are many adverse effects in current drugs, and thus, we have tried to develop anti-asthmatic agents from natural products such as Codonopsis laceolata. To define the anti-asthmatic effect and the mechanism of Codonopsis laceolata, an animal study was conducted considering different cell counts of BALF, serum IgE levels, morphological changes in the pulmonary system, the Th2 cell transcription factor (GATA-3), and the apoptotic pathway (NF-κB/COX-2). Codonopsis laceolata significantly suppressed the representative asthmatic changes, such as airway remodeling, mucous hypersecretion, epithelial hyperplasia, and inflammatory cell infiltration, in the respiratory system. It suppressed the levels of GATA-3, IL-4, and IL-13. The down-regulation of Th2-related factors, such as... [more]

An eggplant-based salad, called aubergine salad (AS), is a traditional appetizer and as such, is quite popular in the Mediterranean area. It is widely produced either on a home scale or on an industrial scale and widely consumed. However, there are cases where preservatives (such as sodium benzoate and potassium sorbate) are added in order to extend the shelf life of the product. In the present study, the stability of this delicatessen against oxidation and microbial spoilage was evaluated, with or without preservatives. The physicochemical properties of the salad were evaluated, along with the tocopherol content, resistance to oxidation, and microbial count. According to the results, it is evident that the induction period of AS is 16% (in the case that preservatives were used) and 26% (in the case without preservatives) increased, compared to a control sample (plain soybean oil). This can be attributed to the increased content in tocopherols, and more specifically to α-tocopherol. Fu... [more]

Ac-225 has lately drawn considerable attention as a radioisotope for targeted alpha therapy treatment for certain types of prostate, blood-derived, and disseminated cancers, but its supply is limited. Therefore, we investigated the production method of Ac-225 by nuclear transmutation in a fast neutron reactor. The authors investigated irradiation of Ra-226 or Th-230 as a target nuclide in the experimental fast reactor Joyo, owned and operated by Japan Atomic Energy Agency, which has abundant fast neutrons and a large loading region with high heat removal capacity. Ra-226 is in increasing demand as a target nuclide to produce Ac-225. Therefore, as another option, we selected Th-230, which is 50 times more abundant than Ra-226 in natural uranium, as an alternative nuclide. Irradiation of Ra-226 and Th-230 with high energy neutrons above the threshold causes an (n,2n) reaction, producing Ra-225 and Th-229, respectively, which are the parent nuclides of Ac-225. The analyses showed that 47... [more]

The genus Ocimum has many species that are used to treat diverse kinds of illnesses and sicknesses from ancient times. One of them, Ocimum basilicum L., commonly known as basil, has a vital role due to its various medicinal goods. It is best known as a plant with pharmacological activities, but also as an antioxidant, antimicrobial, and larvicidal agent. Although it has been traditionally used in Serbia in traditional medicine for centuries as an insecticidal, antibacterial, and antifungal plant as well as a traditional culinary plant, none of the O. basilicum varieties have been commercialised until today. There are significant numbers of information across the world that oils and by-products are part of the global market, but no references to the essential oil composition of Serbian plants were found. Therefore, the objective of this work was to evaluate the antioxidant and antimicrobial potentials of essential oil and hydrolate of two different varieties: O. basilicum var. genovese... [more]

Background: In maxillofacial surgery, critical size mandibular defects remain a challenging issue. There have been numerous attempts to improve mandibular defect healing. Recently, bone tissue engineering has provided many benefits in improving bone healing. Herein, we tried to investigate the effect of Mineralized plasmatic matrix (MPM) and Chitosan to enhance tissue healing and regeneration in mandibular bone defect. Methods: A mandibular bone defect of critical size was created in 45 New Zealand rabbits. There were three groups of rabbits: the MPM group, the Chitosan group, and the control group. Radiographical, histological, and immune histochemical evaluations were performed at 4, 8, and 12 post-operative weeks. Results: The MPM group demonstrated the highest degree of bone formation with uniform radio-opacity nearly like that of adjacent healthy parent tissue. While in the chitosan group, most of the defect area was filled with radio-opaque bone with persistent small radiolucent... [more]

The poly(o-anisidine)/BaSO4 nanocomposites were prepared by oxidative polymerization of o-anisidine monomer with BaSO4 filler for the potential antibacterial properties of the composite materials. To achieve the optimal and tunable properties of the nanocomposites, the ratio of BaSO4 filler was changed at the rates of 1%, 3%, 5%, 7%, and 10% with respect to matrix. Different analytical techniques, i.e., FTIR and UV-visible spectroscopy, were employed for functional identification and optical absorption of the poly(o-anisidine)/BaSO4 nanocomposites. The FTIR data revealed the significant interaction between POA and BaSO4, as well as the good absorption behavior of the UV-visible spectra. The conducting properties were controllable by varying the load percentage of the BaSO4 filler. Furthermore, different bacterial strains, i.e., Pseudomonas aeruginosa (Gram-negative) and Staphylococcus aureus (Gram-positive), were used to evaluate the antibacterial activity of the POA/BaSO4 nanocomposit... [more]

Modification of rice protein by extrusion technology can broaden the range of processing and applications for food and feed raw materials. In this study, rice protein was extruded at different screw speeds (100−250 rpm), extrusion temperatures (90−150 °C), and moisture contents (25−40%). Compared with an unextruded protein, the functional properties and structural properties of textured rice protein were evaluated. The results showed that, after extrusion, the solubility of protein was improved, by up to 19.76%, which was 45.23% higher than pre-extrusion; the water holding capacity of extruded rice protein was highest at 200 rpm, 130 °C, and 25%, which could be enhanced by 37.74%; the emulsion stability was enhanced by 152.82% at 200 rpm, 130 °C, and 35%. Under extrusion, the content of sulfhydryl and disulfide bonds of rice protein decreased significantly; the hydrogen bond content increased, and the ionic bond content decreased; the hydrophobic effect decrease, except at 200 rpm, 130... [more]

The development of drug resistance to presently available synthetic medicines leads us to investigate naturally produced small bioactive molecules to treat drug-resistant diseases, such as cancer and other diseases [...]

is used to treat alcoholic liver injury in China; however, its pharmacological mechanism remains to be clarified. Here, the potential of G. uralensis for the treatment of alcoholic liver injury was explored using a network pharmacology and molecular docking approach. The effective components and targets of G. uralensis were searched in a traditional Chinese medicine systems pharmacology database and analysis platform. Disease targets were obtained using the GeneCards and OMIM databases. The target genes of G. uralensis and alcoholic liver injury were compared to obtain common target genes. Symbol conversion was carried out using the Uniport database, and the composition−target network of G. uralensis and alcoholic liver injury was prepared. A protein−protein interaction network was constructed. Gene Ontology functional enrichment and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses were performed. AutoDock was used for the molecular docking of core compounds and... [more]

is an edible mushroom growing in nutritionally poor and desert soil. There has been little information available about its edaphic and culturing conditions for achieving the vigorous mycelial growth essential for its artificial cultivation, bioaugmentation and biodegradation in unfertile soil. Thus, the present study was conducted to assess its edaphic conditions and find a suitable culturing medium for obtaining maximum growth. It grows commonly in coastal soil with saline conditions, barren land soil unfit for cultivation, and desert soil. It forms a basidiocarp singly around xerophytic trees and annual plants and also in soil without vegetation. In addition to a well-developed pileus and stipe, it has a typical rhizoid that grows horizontally in soil. The rhizoid was thick at the base of the stipe and became thin into the mycelial strand. In our earlier study, we reported that its mycelial growth was very poor on nutrient-rich media containing simple sugar, for example, glucose. In... [more]

The process of microbial spray-drying has inherent defects such as short time, complexity, and non-visualization of particle trajectory. However, there has been a lack of effective methods for real-time sampling, rehydration, and non-destructive storage of dried particles, as well as mathematical modeling of the drying process of yeast particles based on sampling and measurement data. Therefore, firstly, a real-time sampling system was developed which completed real-time sampling, rehydration, and non-destructive storage of spray-dried particles, and realized the real reproduction of the changes of yeast particles in the process of spray drying. The laws that the motion trajectory of microbial particles during spray drying are divided into the first cycle region and the reflux cycle region were concluded, and the partition mechanism was explored. Then, based on the sampling data and the law of heat and mass transfer, a mathematical model of porous media was established to predict the v... [more]

plants are of great interest to traditional medicine in the history of several civilizations, particularly in terms of chronic human diseases. Essential oils obtained from this genus have also been used as therapeutic agents. In this present work, two plants of the Ocimum species from Djibouti, Ocimum basilicum L. and Ocimum americanum L., were subjected to hydrodistillation to obtain their essential oils. Gas chromatography-mass spectrometry was performed to determine the chemical composition of both essential oils. Linalool (41.2%) and estragole (30.1%) are the major compounds among the 37 compounds that have been identified in the essential oil of Ocimum basilicum L. (EOOB), and carvotanacetol (38.4%) and estragole (27.5%) are the main compounds among the 42 compounds that have been identified in the essential oil of Ocimum americanum L. (EOOA). Morever, the cytotoxic activity of EOs was evaluated against 13 human cancer cell lines (K562, A549, HCT116, PC3, U87-MG, MIA-Paca2, HEK293... [more]

Cell aggregates have been applied in various fields such as regenerative medicine and drug toxicity testing. We have shown that H-(Lys-Pro)12-OH (KP24), a repeating sequence of lysine (Lys) and proline (Pro), induces uniformly sized cell aggregates simply by its presence in cell suspension. In this study, we considered that this peptide could be applied to a three-dimensional culture substrate that can induce uniform cell aggregates by immobilizing it on the substrate. Therefore, mouse fibroblasts (L929) were seeded on KP24-immobilized glass substrates and cell behavior was observed. We also seeded human-derived cells, namely, human mesenchymal stem cells (hMSC), on KP24-immobilized substrates and characterized their cell assemblies. Furthermore, KP24 was chemically immobilized on the substrate surface, which allowed us to trace the mechanism of KP24−cell interaction. As a mechanism analysis of the cell aggregation ability of KP24, we investigated whether KP24 interacts with the cell s... [more]

The demand for effective, low-cost vaccines increases research in next-generation biomanufacturing platforms and the study of new vaccine delivery systems (e.g., mucosal vaccines). Applied biotechnology in antigen production guides research toward developing genetic modification techniques in different biological models to achieve the expression of heterologous proteins. These studies are based on various transformation protocols, applied in prokaryotic systems such as Escherichia coli to eukaryotic models such as yeasts, insect cell cultures, animals, and plants, including a particular type of photosynthetic organisms: microalgae, demonstrating the feasibility of recombinant protein expression in these biological models. Microalgae are one of the recombinant protein expression models with the most significant potential and studies in the last decade. Unicellular photosynthetic organisms are widely diverse with biological and growth-specific characteristics. Some examples of the specie... [more]

Our research work examined the potential protection of Stevia rebaudiana extract against monosodium urate crystals (MSU)-induced acute gouty arthritis in a rat model and its possible underlying mechanism. Forty rats were allocated into four groups (n = 10); a control group; an MSU group, whose rats received 0.1 of MSU single intra-articular injection in the ankle joint on the fifth day of the experiment; an MSU + Stevia group, which received 250 mg/kg/day of Stevia extract orally for seven days and MSU crystals on the fifth day; and an MSU + colchicine group, which was administered colchicine at 0.28 mg/kg daily for seven days and MSU crystals on the fifth day. Pretreatment with Stevia extract mitigated MSU-induced inflammation as evidenced by a decrease of the ankle edema and inflammatory cell infiltration and a significant downregulation of the protein level of NFκB, TNFα, IL-1β, IL6, and IL18 as well as NLRP3 gene expression. Additionally, there was a markedly increased PPARγ gene e... [more]

The treatment of phenolic-containing wastewater has received increased attention in recent years. In this study, the N-doped porous carbons were prepared from lignite with tripolycyanamide as the N source, and their phenol adsorption behaviors were investigated. Results clearly showed that the addition of tripolycyanamide largely improved the surface area, micropore volume, N content and thus the phenol adsorption capacity of lignite-based carbons. The N-doped sample prepared at 700 °C showed a surface area of 1630 m2/g and a phenol adsorption capacity as high as 182.4 mg/g at 20 °C, which were 2.0 and 1.6 times that of the lignite-based carbon without N-doping. Pseudo-second order and Freundlich adsorption isotherm models could better explain the phenol adsorption behaviors over lignite-based N-doped porous carbon. Theoretical calculations demonstrated that phenol adsorption energies over graphitic-N (−72 kJ/mol) and pyrrolic-N (−74 kJ/mol) groups were slightly lower than that over th... [more]