Cymbopogon citratus, popularly known as “lemongrass”, is an herbaceous species originating from India, belonging to the Poaceae family, to which it is acclimatized in several typical regions of Brazil. C. ​citratus is one of the best-known medicinal plants in traditional medicine, as it is known for its diverse activities, including antibacterial, anticonvulsant and antimalarial properties. In this sense, with the spread of bacterial resistance, the search for antimicrobials based on natural compounds has intensified. It is therefore important to address and evaluate the possible antibacterial activities of Cymbopogon citratus in comparison with Gram-positive microorganisms reported in the literature. This is a literature review, in which the Health Sciences Descriptors (DeCS) “Cymbopogon citratus”, “Antibacterial Activity” and Essential Oil” were used to search the MedLine and LILACS databases, accessed through the Library Virtual Health System (VHL), with the screening of relevant data according to the established theme. The final sample was composed of 14 studies, without temporal delimitation. It was observed that the antibacterial activity of essential oils based on C. citratus overlaps across the studies using extracts. Of the bacteria evaluated, C. citratus demonstrated antibacterial activity against all bacteria tested, in which the following halos and Minimum Inhibitory Concentration were determined: Bacillus subtilis (2 mg/mL), Listeria monocytogenes (0.33 mg/mL - 1.56 mg/mL), Staphylococcus saprophyticus (21 mg/mL) and Streptococcus mutans (0.25 mg/mL). The antibacterial activity of C. citratus was high compared to S. aureus in all studies evaluated. The results obtained were dose-dependent, ranging from 50 to 0.1 mg/mL. With the evaluation of different studies, the activity of essential oils may vary depending on the composition, location, climatic conditions, the technique for extracting and using the oil and the method used to evaluate its antimicrobial activity.

This study introduces an advanced approach in the development of hydrogels, utilizing Polyvinyl Alcohol (PVA) and Polyethylene Glycol (PEG), integrated with eco-friendly synthesized silver nanoparticles. The synthesis of these nanoparticles was achieved using silver nitrate and yellow tea extract, a naturally reducing agent, ensuring an environmentally conscious production process. The incorporation of these silver nanoparticles into the PVA/PEG hydrogel matrix led to the creation of hydrogels with superior antibacterial properties. These enhanced properties render the hydrogels highly effective for various biomedical applications, including wound dressings and drug delivery systems. Notably, the addition of yellow tea extract not only underscores the commitment to eco-friendly synthesis but also potentially augments the bioactive characteristics of the hydrogels. This pioneering method aligns with green chemistry principles, signifying a notable advancement in sustainable hydrogel technology. The hydrogels' unique composition and characteristics open up a broad spectrum of possibilities in the biomedical field. This study not only demonstrates the practical applicability of these hydrogels in medical settings but also emphasizes the importance of sustainable practices in scientific research and material development.

The main objective of the analyses conducted was to understand the release of silver nanoparticles from the hydrogel material under different conditions, such as static and dynamic environments, and to determine the kinetics of this process. Spectrophotometric and microscopic analysis techniques were used in this research. The amounts of released nanoparticles and observations of morphological changes in the hydrogel structure were monitored. An analysis of the release kinetics provided a better understanding of the rate and manner in which nanoparticles leave the hydrogel structure under different conditions, which is essential for the optimal design of products based on these materials. This research formed an important experimental part of the work, contributing to the necessary knowledge needed for further development and practical use of silver nanoparticle hydrogel.

This research was carried out within the SMART-MAT Functional Materials Science Club of the Faculty of Materials Engineering and Physics of Cracow University of Technology as part of the 3rd edition of the program "Student research clubs create innovation" through the project titled "Transdermal systems in targeted therapy of skin cancer" financed by the Ministry of Science and Higher Education (grant no: SKN 157/568410/2023).

Context: Proteins are important molecules that are found in all living organisms. They are made up of long chains of amino acids that are linked through peptide bonds. Protein function prediction is one of the most challenging problems in the post-genomic era. The number of newly identified proteins has been exponentially increasing with the advances of high-throughput techniques.

Objectives: The main objective of this research study is to predict protein structure and function using regression-based approaches. The second aim is to discuss recent advancements in machine learning techniques that have significantly contributed to improving regression-based approaches for protein property prediction.

Method and materials: In this research study, we use a machine learning algorithm to predict details about protein structure, function, shape, and mechanism of action. We implement regression algorithms such as linear regression, decision tree regression, random forest regression, and gradient boosting regression using advanced frameworks such as Tensor Flow and sci-kit-learn.

Result: Our analysis reveals promising outcomes, with the random forest regression model achieving an accuracy of 96%, precision of 95.1%, and recall of 95%. These results underscore our ability to predict various protein properties and structures with enhanced precision, leveraging the complicated relationships within protein data.

Subject description: Traditionally, it was thought that only human collagenases (matrix metalloproteinases-1, -8 and -13) were capable of initiating collagen degradation. Trypsin is also capable of cutting the triple helix of human collagens, and is at the root of rheumatoid arthritis.

Objectives: The trypsin inhibitor is considered a valid target for the discovery of new active compounds for the treatment of rheumatoid arthritis. In this study, a series of 59 compounds from the methanolic extract of A. leuchotruchus identified by GC-MS were used for a molecular docking study to identify interactions between compounds and active site amino acids.

Methods: Network pharmacology was adopted to detect the active components of our medicinal plants obtained from PubChem in 3D form, and the main target in the treatment of RA was obtained from the PDB. Key components and the target were selected for molecular anchoring.

Results and discussion: The evaluation of Ammodaucus leucotrichus seed extracts as potential anti-inflammatory and anti-arthritic agents involved employing methanol for the extraction of bioactive compounds. The extract underwent assessment through protease (trypsin) and protein (BSA, bovine serum albumin) denaturation inhibition assays. The methanol extract demonstrated trypsin inhibition of 85%, surpassing diclofenac (64.67%) at 125 μg/mL. GC–MS analysis revealed 59 and 58 secondary metabolites in the methanol extract, indicating diverse bioactive compounds. In silico docking studies identified 28 compounds with negative binding energies, suggesting potential trypsin inhibition. Notably, 2-hydroxyacetohydrazide showed superior inhibitory effects (−17.13 Kj/mol) compared to diclofenac (−13.01 Kj/mol). The methanol extract, particularly 2-hydroxyacetohydrazide, emerged as a promising candidate for rheumatoid arthritis (RA) treatment due to potent trypsin inhibition. SwissADME analysis highlighted favorable bioavailability attributes, with optimal size, polarity, solubility, and saturation for 2-hydroxyacetohydrazide. The BOILED-Egg model predicted blood–brain barrier permeation and gastrointestinal absorption, providing insights into druglikeness and bioavailability.

Conclusion: In summary, these findings propose that the methanol extract is a promising candidate for anti-inflammatory applications, particularly in trypsin inhibition. The identified compound, 2-hydroxyacetohydrazide, shows promise as a potential drug candidate for rheumatoid arthritis treatment. However, rigorous mechanistic studies and validation are crucial to enhance our understanding of its therapeutic potential within the field of plant-based medicines.

Recent years have seen significant progress in the field of hydrogel materials, especially in terms of their modification with silver nanoparticles. A new method has been developed for producing hydrogels containing polyvinylpyrrolidone (PVP) and polyethylene glycol (PEG), modified with silver nanoparticles, using eco-friendly components. In the synthesis process, silver azide was used as a precursor for silver nanoparticles, and an extract from Plantago lanceolata, known for its reducing and stabilizing properties, was employed. Silver nanoparticles were incorporated into the PVP and PEG hydrogel matrix, creating a unique composition with enhanced properties. The obtained hydrogels demonstrated excellent antibacterial properties due to the presence of silver nanoparticles. Tests also confirmed their biocompatibility and structural stability. Additionally, the presence of the Plantago lanceolata extract contributed to the increased bioactivity of the hydrogels. The developed hydrogels have a wide range of applications, particularly in regenerative medicine, as wound dressings; in drug delivery systems; and in cosmetology. Their antibacterial and bioactive properties make them a promising material in modern biotechnology and medicine.

This study focused mainly on investigating the physicochemical and mechanical properties of the finished systems. Methods of the physicochemical analysis included UV–Vis spectrophotometry to evaluate the absorption of silver nanoparticles, as well as a sorption capacity analysis and incubation studies in simulated body fluids. A valuable analysis of surface morphology was carried out using a high-resolution digital microscope to determine surface roughness parameters. The comprehensive studies conducted provided important information on the material characteristics of the hydrogel, which is crucial for understanding the potential applications of these materials in biomedical practice.

This research was carried out within the SMART-MAT Functional Materials Science Club of the Faculty of Materials Engineering and Physics of Cracow University of Technology as part of the third edition of the program "Student research clubs create innovation" through the project titled "Transdermal systems in targeted therapy of skin cancer" financed by the Ministry of Science and Higher Education (grant no.: SKN 157/568410/2023).

This project established transcriptome and soil metagenomic resources for Trichostema lanatum. T. lanatum is a traditional Chumash medicinal plant in Lamiaceae used for rheumatism, commonly called wooly blue curls. The stunning flowers and leaves were collected from the Gold Creek Preserve, Angeles National Forest. What made these plants so resilient to abiotic and biotic stress?

In May 2022, snap-frozen plant tissue for RNA sequencing and soil for DNA sequencing were collected. The pipeline for plant RNAseq consisted of QC in SOAPnuke and MultiQC, de novo assembly in Trinity, BUSCO evaluation, quantification in salmon, and annotation with Trinotate. Metabarcoding was analyzed with DNA Subway Purple Line. Soil metagenomics were analyzed in Nephele using BioBakery, MicrobiomeDB, and STAMP.

The Trichostema lanatum transcriptome assembly was 91.1% complete according to BUSCO results. Plant isoforms with TPM>10 and effective length>1000 were chosen for a downstream analysis. Transcripts were annotated with the best Sprot BLASTX and BLASTP hits.

In the plant transcripts, there was a prevalence of functions related to primary defense mechanisms that would make the plant more resilient such as pectins, heat shock proteins, a stress response, RIPP-like disease resistance proteins, chitinase-like proteins; transcripts for anti-herbivory-related functions were also abundant, especially coumarates such as scopoletin analogs and glucoalkaloids like strictosinide. Shikimate O-hydroxycinnamoyltransferase was most closely related to Nicotiana (TPM=132, length=1816, 84.37% ID). Phenylalanine ammonia lyase (PAL) was annotated from Digitalis (TPM=57.53, length=2874, 91.02% similar). There was an elevated expression of Cadmium-related heavy metal resistance genes and heavy-metal-associated isoprenylated proteins.

In soil WGS results from the wooly blue curls' rootzone, TPMs were above average for flavonoid and isoflavonoid biosynthesis and stilbene and isoquinoline alkaloid biosynthesis compared to other plant rootzones in the National Forest preserve studied. Abundances were similar for tropane, piperidine, and pyridine alkaloid and indole alkaloid production, and lower for indole diterpene alkaloid biosynthetic genes, compared to the other rootzones. There were also differences in taxonomic composition; there was a higher than average proportion of reads for unclassified bacteria and unclassified Actinomycetota sp. These results emphasize candidate genes related to phenylpropanoid production as potential actors adding to the resilience of Trichotestema lanatum against oxidative abiotic and biotic stress, both above ground and below ground.

Stem cells have unique self-renewal and differentiation capacities, which are advantageous for regenerative medicine and tissue engineering applications. Stem cells can recreate cells needed to repair injured tissues and organs in the body, for example, by regenerating connective tissues, which provide support, protection, and a structural framework for various organs and other tissues. However, a significant limitation is the susceptibility of tendons to injury with long-term loss of function.

Mesenchymal stem cell (MSC) therapies are promising for healing tendon injuries and tears, but generating homogeneous tenogenic stem cell populations remains challenging. A homogenous sample of tenocytes (differentiated MSCs towards the tendon lineage) is critical for further tissue repair after transplantation to avoid unnecessary tumor growth during regenerative therapies. To substantiate our hypothesis that differentiating and non-differentiating stem cells have unique dielectric properties, we focused on quantifying dielectric signatures for differentiating tenogenic and non-tenogenic MSCs on the third day of differentiation using dielectrophoresis (DEP)—an electrokinetic method that uses nonuniform fields—following a preliminary study, which focused on their crossover frequencies [1, 2], the frequencies at which the net DEP forces acting on the cells are zero. Here, we further estimated that the values for membrane capacitance, conductivity, and permittivity after 3-day treatment of undifferentiated cells to yield differentiated tenogenic MSCs are 2.46±0.1 pF, 0.82±0.01 S/m, and 1.97±0.05, respectively, and cytoplasm conductivity is 0.82±0.02 S/m. The results showed a significant difference between the 3-day- and no-treatment groups (undifferentiated cells with no treatment).

The estimated properties from the dielectrophoretic characterization studies are crucial in designing a DEP-based enrichment microdevice to collect homogeneous differentiated mesenchymal stem cell populations, i.e., tenocytes for tendon repair. Using particle tracing, creeping flow (transport of diluted species model), and electric current physics in COMSOL Multiphysics simulation software, we designed a microdevice that achieves 100% separation of untreated and treated mesenchymal stem cells undergoing differentiation towards a tendon at 160 kHz.

Applying dielectrophoresis to the microdevice architecture demonstrated high selectivity and yield, processing one million treated differentiating cells in 6.4 hours at 300 µm/s.

Neurodegenerative diseases damage the nervous system and lead to a variety of complex progressive chronic issues. Alzheimer's disease (AD) is one such case. The most common form of dementia is a degenerative disorder of the brain that leads to memory loss, confusion, and behavioral changes. The main drug classes currently used to treat AD are acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors. In this study, we investigated the inhibitory effects of a series of newly synthesized compounds of 2-hydroxy-N-phenylbenzamide derivatives on AchE and BchE, using molecular modeling approaches such as molecular dynamics and bioisosteric replacement to treat or reduce Alzheimer's disease.

The best docking complexes, L18 and L6′, were used as simulation inputs to evaluate the stability of the complex (protein–ligand), using potential energy as a function of time. These results were verified using molecular dynamics simulations, demonstrating the strength of both complexes.

Furthermore, we found that the bioisosteric replacement method successfully proposed two novel analogs of each compound (L18 and L6′) with low energy scores and similar biological activity by replacing molecular substructures with similar chemical groups.

All these methods allow us to identify new inhibitors that have potential against this disease and can be suggested as new drugs against Alzheimer's disease.

ABSTRACT

The field of "green chemistry," which is comparatively new, encourages the application of a set of standards to reduce the consumption of chemicals and their production. Because of this, using eco-friendly technology benefits ecosystems more than using industrial labor does. There is a growing trend in the use of plant extracts as an environmentally friendly and less expensive substitute for conventional techniques in the synthesis of metallic nanoparticles. In the present investigation, metallic titanium dioxide nanoparticles were biosynthesized using an aqueous leaf extract of Leucas cephalotes. Plants have a restricting and capping impact. We employed real-time monitoring of the biosynthesized nanoparticles using an ultraviolet spectrophotometric analysis. It was possible to see the formation of metallic nanoparticles and articles because the addition of the leaf extract caused a discernible color shift. We employed a number of techniques to obtain additional insight into the nanoparticles, including zeta potential energy dispersive X-ray spectroscopy (EDX), X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy. The SEM scan indicates that the titanium dioxide nanoparticles are spherical and range in size from 10 to 100 nm. The artificial TiO₂NPs' anatase crystalline structure was confirmed by the XRD examination. The constituent elements and functional groups of the nanoparticles have been determined by the results of the FTIR and EDAX analysis. Assessments of the produced TiO₂NPs' anticancer efficacy in MCF-7 (breast cancer), HeLa (human embryonic lung cancer), PC-3 (prostate cancer), and A549 (lung cancer) were conducted using the MTT and MTS assay. Furthermore, investigations have demonstrated the excellent activity of synthesized TiO₂NPs against Escherichia coli, Bacillus subtilis, Pseudomonas aeruginosa, and Staphylococcus aureus and no impact against yeast (Candida albicans).

Parkinson's disease (PD) is a progressive neurodegenerative disorder characterized by the degeneration of dopaminergic neurons and the abnormal accumulation of alpha-synuclein (α-syn) aggregates or Lewy bodies in the substantial nigra of the brain. Apart from this accumulation, PD is also characterized by a loss of motor function, tremor, rigidity, and postural instability. α-syn is an intrinsically disordered protein involved in vesicular trafficking and neurotransmitter release. The aggregation of α-syn involves a cascade of structural transition from a monomeric protein to the fibrillar form of protein, a complex process regulated by several intrinsic and extrinsic factors. Nanoparticles have been reported for easy drug delivery as they can easily cross the blood–brain barrier. Several reports suggest that the interface of metal oxide nanoparticles directly affects α-syn conformation and can positively inhibit amyloidogenesis. Some reports also indicated that metal ion-catalyzed oxidation (MCO) of α-syn favors the formation of dityrosine linkage, which forms soluble aggregates rather than insoluble fibrils. However, the mechanism behind the dityrosine-mediated α-syn is unclear. Therefore, in this report, our study primarily focuses on the potential use of metal nanoparticles to induce a dityrosine-mediated inhibition of α-syn fibrillation. Using a combination of some biophysical methods, we have found that ZnONP with a negative interface has more affinity for monomeric α-syn, strongly inhibits the fibrillation kinetics of α-syn in a dose-dependent manner resulting in the flocculation of the complex, which is a kinetically favorable process. α-syn interacted with ZnONPs via multi-layered adsorption and led to the formation of amorphous aggregates known as flocs instead of fibrillar structures. Interestingly, we found that oxidative stress exerted by ZnONP induced the formation of dityrosine cross-linkage in α-syn. In conclusion, this intramolecular cross-linking favors the flocculation process to form a compact yet disordered α-syn monomer instead of a structured fibril.