Introduction: Bacteria such as Streptococcus mutans metabolize sugar consumed by humans to organic acids. These acids demineralize teeth, causing caries. In dental practice, caries is treated by the removal of infected tissue and filling the cavity with dental composite restorative material (DCRM). Modification of DCRM to achieve microbiocidal materials is widely researched in the literature, due to the neglecting antibacterial activity of commercial materials.
This research aimed to characterize antibacterial activity against Staphylococcus aureus and Escherichia coli of common dental copolymers modified with previously synthesized monomers possessing quaternary ammonium groups (QAn+TMXDI, where n is the number of carbon atoms in the N-alkyl substituent: 8, 10, or 12) responsible for their antibacterial activity.

Methods: Two series of copolymers were prepared: 20 wt. % of QAn+TMXDI, 20 wt. % TEGDMA, 20 wt. % UDMA, and 40 wt. % Bis-GMA and 40 wt.% QAn+TMXDI, 20 wt. % TEGDMA, and 40 wt. % Bis-GMA. The bacterial adhesion was tested with disc-like samples, which were immersed in bacteria solution, washed with sterile water, and then, suspensions of bacteria remaining on the surface were prepared and spread on agar plates. Next, bacteria colonies were counted.

Results: Copolymers modified with 20 wt. % of QAn+TMXDI showed antibacterial activity comparable to a reference sample, except for a copolymer with QA8+TMXDI, which showed higher activity than other copolymers. In the case of copolymers with 40 wt. %, a significant increase in antibacterial activity was observed.

Conclusions: Microbiocidal properties of modified copolymers depended on the weight content of QAn+TMXDI and the length of the N-alkyl chain. The higher the QAn+TMXDI content, the higher the antibacterial activity. The N-alkyl substituent had the opposite effect, i.e. the higher the number of carbon atoms in the chain, the lower the antibacterial activity.

Algae, despite being labeled as an underexplored biological source of chemical constituents, remain inadequately studied in terms of their metabolism. Metabolomics emerges as a high-throughput technology to investigate the full metabolic profile of samples that could aid in the understanding and characterization of algae. By delving into their primary composition, particularly for polysaccharides and phycobiliproteins, alongside secondary metabolites like polyphenols and pigments, researchers can uncover not only their rheological and nutritional properties but also their diverse biological activities. Given the growing interest in algae for food and related industries, innovative approaches should be explored to enhance the value of their functional components. In this sense, in the context of contemporary in silico studies, metabolomics should be paired with computational methodologies to develop novel techniques for studying biomolecular interactions. Molecular docking arises to predict the atomic-level interaction between a small molecule (ligands) and target proteins (proteins). This synergistic approach integrating both technologies could allow us to characterize algae profiles, evaluate their potential bioactive properties, and better understand their metabolism. This work pays attention to the metabolomic and computational strategies to be developed, which are aimed at the functional characterization of algae. By harnessing these technologies, we can unlock new possibilities for using algae in various industrial applications, paving the way for sustainable and innovative solutions in the future.

Introduction: Recent advancements in biomolecular research have significantly enhanced our comprehension of the intricate interactions and networks governing cellular processes. This abstract introduces a review focused on biomolecular interactions and networks with a particular emphasis on comparing state-of-the-art methodologies, both experimental and computational, utilized in the study of protein–protein interactions.

Methods: Cutting-edge techniques in experimental and computational biology have been pivotal in unraveling biomolecular interactions. This review synthesizes the methodologies employed in studying protein–protein interactions, encompassing advanced experimental approaches such as X-ray crystallography and NMR spectroscopy. Moreover, it explores the integration of omics data, outlining the computational strategies used to construct comprehensive biomolecular networks.

Results: Exploring protein–protein interactions has revealed intricate binding interfaces and significant conformational changes, offering crucial insights into cellular function regulation. Through the integration of various data sources, including genomics, transcriptomics, proteomics, and metabolomics, a holistic view of biomolecular networks has emerged, elucidating the interconnectedness of molecular events within cells. These findings highlight the potential for targeted drug development and therapeutic approaches, driven by a deeper understanding of these networks.

Conclusion: This review underscores the collaborative efforts of researchers in advancing biomolecular science. By comparing different methodologies, including both experimental and computational approaches, significant progress has been made in deciphering the complexities of biomolecular networks. Clarification is provided regarding the inclusion of interactions on-chip, with surface characterization tools being considered where applicable.

The cellular redox system has a huge range of different vital properties, from the neutralization of reactive oxygen and nitrogen species to drug resistance. Also, redox balance is crucial for the progression of growth and the proliferation of tumor cells. Suchmajor systems are thioredoxin and glutathione systems. The enzymes that catalyze reactions in these systems, thioredoxin reductase and glutathione reductase, are promising targets in various human diseases. These enzymes possess a certain catalytic feature, i.e., an ability to promote the reduction of selenide–sulfide and disulfide groups, through which electrons are transferred for further oxidation–reduction processes on the protein. The increased expression of redox enzymes has been proven in tumor cells compared to normal cells.

In our study, we synthesized derivatives of oxazolones, molecules with an electron-deficient part, which could be potential inhibitors of redox enzymes. The derived molecules were screened for their ability to inhibit thioredoxin reductase and glutathione reductase on lung carcinoma cell lysates, and active candidate molecules were also selected. An analysis of the obtained enzymatic reaction rate change data made it clear that the molecules we synthesized tended to inhibit thioredoxin reductase more effectively, most likely due to their higher affinity for selenocysteine. Two molecules with a common 4-nitrostyryl-oxazolone moiety that were more effective as inhibitors of glutathione reductase were also identified. Selective binding studies with cysteine and selenocysteine using mass spectrometry were carried out for the selected molecules. The selected molecules were also tested for their cytotoxic activity against lung carcinoma cells.

The diverse properties and beneficial applications of bioactive compounds (BACs) have garnered significant interest across multiple industries. These compounds can be extracted from various sources, but vegetal matrices, including plants, fruits or by-products, have taken much of this attention. To improve extraction efficiency and reduce costs, non-conventional techniques like microwave-assisted extraction (MAE) have emerged as greener and more cost-effective alternatives. This technique combines solvent extraction with microwave heating power, where the energy is transmitted as waves, penetrating the matrix, and interacting with polar molecules, generating heat that increases the kinetics of the extraction. By reducing solvent usage, extraction times, waste generation, sample requirements and energy consumption, MAE has become one of the most cost-effective extraction methods, with remarkable extraction rates [1,2]. Despite this, it must be considered that due to the high temperatures and pressures, there is a risk of metabolites being degraded [3]. The extraction performance depends on multiple factors including pressure, temperature, moisture, microwave power, exposure time and characteristics of the matrix and solvent. Moreover, the implementation of this technique under an experimental design described by mathematical models such as the response surface methodology (RSM) along with a circumscribed central composite design (CCCD) allows for predicting the experimentally obtained values with the highest reliability. For this purpose, it is necessary to determine the influence of these factors. This abstract underscores recent advancements in understanding the complexities of MAE for secondary metabolite recovery, laying the groundwork for optimizing extraction methodologies and harnessing these BACs for various applications.

Bacterial multidrug resistance poses a growing hazard to public health worldwide. Pseudomonas aeruginosa is a ubiquitous bacterial species that has been identified as the second most critical pathogen on the list of drug-resistant bacteria posing a huge threat to human health. P. aeruginosa is an opportunistic Gram-negative bacterium that rapidly produces multiple virulence factors that promote adhesion, host cell penetration, and pathogenicity. It possesses inherent resistance to multiple classes of antibiotics, evading antibiotic treatment by triggering the persister phenotype. Traditional approaches for detecting pathogens in laboratory and clinical settings primarily involve microbiological, nucleic acid-based, immunological, and sequencing techniques, among others. These procedures are time-consuming, necessitate advanced laboratory equipment and skilled staff, and incur large setup costs, rendering them unsuitable for on-the-spot detection of bacterial infections in settings with limited resources. Aptasensors utilize nucleic acid aptamers as bio-receptors to detect pathogens. They circumvent the existing limitations of conventional detection systems due to their sensitivity, versatility for modification, cost-efficiency, and ability to enable real-time detection. So far, as per the literature, three aptamers have been developed against P. aeruginosa using whole bacterial cells but with unreported binding sites. This study aims to identify highly specific aptamers that can bind specifically to P. aeruginosa using whole-bacterium SELEX at any stage of growth with an extensive study of binding site interaction and identification. The objective is to develop an aptamer-based kit enabling rapid point-of-care detection of P. aeruginosa in clinical and environmental samples.

Pressurized Liquid Extraction (PLE) has become a pivotal technology for extracting secondary metabolites (e.g., phenolic compounds) from botanical sources, with implications spanning pharmaceuticals, nutraceuticals, and functional foods [1,2]. This communication provides an overview of recent advancements in understanding the key factors influencing the efficiency and selectivity of PLE in the extraction of these bioactive compounds. The optimization of PLE parameters, including pressure, temperature, and solvent characteristics, has been a focal point in recent research to enhance the extraction yield and preserve the integrity of secondary metabolites. Investigations into the interaction of sample matrix properties, particle size, and solvent polarity have revealed nuanced effects on the extraction process, contributing valuable insights to developing targeted extraction protocols. Also, technological innovations, such as the utilization of green solvents and novel extraction techniques, are reshaping the landscape of PLE. Different studies exploring sustainable approaches not only enhance extraction efficiency but also align with the growing emphasis on environmentally friendly practices, paving the way for greener extraction processes. Collaborative efforts among researchers have led to a deeper understanding of the factors influencing PLE. Thus, this abstract highlight recent progress in unraveling the complexities of PLE for secondary metabolites, fostering a foundation for optimizing extraction methodologies and leveraging these bioactive compounds for diverse applications.

Bhendi, or okra (Abelmoschus esculentus, family Malvaceae), has numerous nutritional benefits. In India, which is its largest producer, the prevalence of begomoviruses causes enation leaf curl (ELCu), yellow vein mosaic (YVM) disease, or a combination of both, resulting in huge losses in cultivation. Previously, we have shown that BYVMV C2, C4, and βC1 act as suppressors of PTGS and TGS, with pronounced TGS inhibition arising from the former two proteins. The current research intends to uncover the mechanism behind the TGS hindrance induced by C4 and C2. Initially, to screen for host interactions with C2 or C4, the viral proteins were fused with His-tag, followed by agroinfiltration into N. benthamiana leaves in various combinations, including three negative controls. The extracted proteins were subjected to pull-down. We subsequently performed LC-MS and a meticulous data analysis which revealed a preliminary interacting partner for C2 or C4. Intriguingly, C4 was found to interact, either directly or indirectly, with potential TGS suppressors such as S-adenosyl homocysteine hydrolase (SAHH), S-adenosyl methionine synthetase (SAMS), cystathionine beta synthetase domain containing protein (CBS), nuclear importin (NbNUP50a), heterochromatin formation (NbFDM4), and chromatin remodeling (NbBRM). Initially, we selected the first three candidates and performed bioinformatics analysis by modeling the host proteins to look for their interaction potential. By confirming interactions in silico, we cloned SAHH, SAMS, and CBS from N. benthamiana and fused them with the Streptavidin Tag, which aided in confirming the interaction through pull-down and Co-IP. Virus-induced gene silencing (VIGS) was used to silence SAMS and CBS. Their impact on viral DNA accumulation and phenotypic differences will be discussed during the presentation.

The European Rapid Alert System for Food and Feed (RASFF) has shown 1133 notifications for spices and herbs in the last 10 years (2013–2023). The analysis of these notifications indicated that 58,7% (665) of the alerts corresponded to chemical hazards. Mycotoxins corresponding to aflatoxin B1 (90) and ochratoxin A (39) were found in 19.4% of the samples. Due to the presence of these biological hazards in foodstuffs, comprehensive knowledge of their molecular mechanisms of action is required as part of the risk assessment strategy. Aflatoxin B1 (AFB1) is a known potent carcinogen that has been linked to liver cancer in humans and animals. Its toxic effects consist of forming DNA adducts, causing mutations, and interfering with cellular processes. On the other hand, ochratoxin A (OTA) is known to be nephrotoxic, hepatotoxic, carcinogenic, and immunosuppressive in both humans and animals. OTA targets the kidneys and liver, exerting its toxic effects similarly to AFB1, i.e., through DNA damage, oxidative stress, and interference with cellular processes. This communication reviews the molecular mechanism of action underlying the toxicity of AFB1 and OTA found in herbs and spices in Europe, focusing on their biosynthesis, toxicodynamics, interaction with cellular components, and the resulting biochemical pathways leading to adverse health effects. Moreover, it discusses potential strategies for mitigating their presence in herbal products, emphasizing the importance of hazard characterization for effective risk management and regulation.

Gram-negative bacteria cause a multitude of infections in humans and, over time, many have developed resistance to conventional antibiotics, making available treatments less effective. Given this scenario, several studies have explored natural plants as a possible therapeutic approach, highlighting the essential oil of Cymbopogon citratus, commonly known as Lemongrass. Therefore, the scope of this work is to investigate reports in the literature about the antibacterial activity of lemongrass essential oil against Gram-negative bacteria. A narrative review was carried out using the PICo strategy with the following guiding question: how effective is Cymbopogon citratus essential oil (P) as a therapeutic modality (I) considering its antibacterial properties (Co)? The search for articles was carried out in the PubMed, Virtual Health Library (BVS), Scielo, and CAPES databases, using the descriptors "Cymbopogon Citratus ", "essential oil", "lemon grass", "antibacterial activity", and "Gram-negative bacteria" combined with Boolean operators (OR and AND). Original studies that addressed the antibacterial activity of the vegetable's essential oil in Portuguese, English, or Spanish were included and duplicate works were excluded. After screening, the final sample consisted of 14 articles. The studies were primarily in vitro trials. In a test with Pseudomonas aeruginosas, the inhibitory activity of the compound was from a concentration of 5%, while for Salmonella enteritidis, it was from 2.5%. Concomitantly, the vegetable's essential oil showed a significant inhibitory effect with halos ranging between 12 and 23 mm and minimum inhibitory concentration (MIC) of 3.90 µg/mL, against strains of the Aeromonas caviae complex. Against strains of Proteus penneri, Escherichia coli, and Klebsiella oxytoca, different degrees of inhibition were observed, all exhibiting halos greater than or equal to 11 mm. These results point to the essential oil of C. citratus as a promising alternative to control and combat bacterial infections, highlighting its bactericidal action at relatively low concentrations.