Eight quinoline-based hydroxyimidazolium hybrids 7a–h were prepared and evaluated in vitro against a panel of clinically important fungal and bacterial pathogens, including mycobacteria. Hybrid compounds 7c–d showed remarkable antifungal activity against Cryptococcus neoformans with a minimum inhibitory concentration (MIC) value of 15.6 µg/mL. Against other opportunistic fungi such as Candida spp. and Aspergillus spp., these hybrids showed MIC values of 62.5 µg/mL. Regarding their antibacterial activity, all the synthetic hybrids demonstrated little inhibition of Gram-negative bacteria (MIC ≥50 µg/mL), however, hybrid 7b displayed >50% inhibition against Klebsiella pneumoniae at 20 µg/mL and full inhibition at 50 µg/mL. Moreover, this hybrid was shown to be a potent anti-staphylococcal molecule, with a MIC value of 2 µg/mL (5 µM). In addition, hybrid 7h also demonstrated inhibition of Staphylococcus aureus at 20 µg/mL (47 µM). Hybrids 7a and 7b were the most potent against Mycobacterium tuberculosis H37Rv with MIC values of 20 and 10 µg/mL (46 and 24 µM), respectively. The 7b hybrid demonstrated high selectivity in killing S. aureus and M. tuberculosis H37Rv in comparison with mammalian cells (SI >20), and thus it can be considered a hit molecule for mechanism of action studies and the exploration of related chemical space.

Modern culture, strongly influenced by the growth of sectors such as the fashion and textile industries, has generated an environmental trend that is difficult to reverse. It is estimated that between 60 and 70% of the dyes used in these sectors are synthetic, which offer great versatility, a low cost, and a broad spectrum of colors, making them indispensable in many sectors. Among these synthetic dyes, azo dyes stand out due to their excellent chromophoric properties, structural stability, and ease of synthesis. However, these compounds are considered xenobiotics with a strong recalcitrant potential. This review article comprehensively examines the biodegradation potential of azo contaminants by microorganisms, including bacteria, fungi, microalgae, and consortia, using the PRISMA 2020 methodology. In this regard, this study identified 720 peer-reviewed articles on this topic that are outstanding. The analysis of these studies focused on the effect of parameters such as pH, temperature, and exposure time, as well as the enzymatic degradation pathways associated with the degradation efficiency of these contaminants. For example, the results identified that microorganisms such as Meyerozyma guilliermondii, Trametes versicolor, Pichia kudriavzevi, Chlorella vulgaris, and Candida tropicalis possess significant potential for degrading azo dyes (up to 90%). This degradative efficiency was attributed to the high enzymatic activity that cleaves the azo bonds of these contaminants through specialized enzymes, such as azoreductases, laccases, and peroxidases. Furthermore, the results highlight synergistic effects or metabolic cooperation between species that enhance the biodegradation of these contaminants, suggesting an eco-friendly alternative for environmental remediation.

The antileukemia cancer activity of organic compounds analogous to ellipticine representes a critical endpoint in the understanding of this dramatic disease. A molecular modeling simulation on a dataset of 23 compounds, all of which comply with Lipinski’s rules and have a structure analogous to ellipticine, was performed using the quantitative structure activity relationship (QSAR) technique, followed by a detailed docking study on three different proteins significantly involved in this disease (PDB IDs: SYK, PI3K and BTK). As a result, a model with only four descriptors (HOMO, softness, AC1RABAMBID, and TS1KFABMID) was found to be robust enough for prediction of the antileukemia activity of the compounds studied in this work, with an R² of 0.899 and Q² of 0.730. A favorable interaction between the compounds and their target proteins was found in all cases; in particular, compounds 9 and 22 showed high activity and binding free energy values of around −10 kcal/mol. Theses compounds were evaluated in detail based on their molecular structure, and some modifications are suggested herein to enhance their biological activity. In particular, compounds 22_1, 22_2, 9_1, and 9_2 are indicated as possible new, potent ellipticine derivatives to be synthesized and biologically tested.

The greenhouse effect and global warming, driven by the accumulation of pollutants, such as sulfur oxides (SOx), nitrogen oxides (NOx), and CO₂, are primarily caused by the combustion of fossil fuels and volcanic eruptions. These phenomena represent an international crisis that negatively impacts human health and the environment. Several studies have reported novel carbon capture, utilization, and storage (CCUS) technologies, promising solutions. Notable methods include chemical absorption using solvents, and the development of functionalized porous materials, such as MCM-41, impregnated with amines like polyethyleneimine. These technologies have demonstrated high capture capacity and thermal stability; however, they face challenges related to recyclability and high operating costs. In parallel, biodegradable polymers and hydrogels present sustainable alternatives with a lower environmental impact, although their industrial scalability remains limited. This review comprehensively analyzes CO₂ capture methods, focusing on silica-based porous supports, polymers, hydrogels, and emerging techniques, like CCUS and MOFs, while including traditional methods and a bibliometric analysis to update the field’s scientific dynamics. With increasing investigations focused on developing new CCUS technologies, this study highlights a growing interest in eco-friendly alternatives. A bibliometric analysis of 903 articles published between 2010 and 2024 provides an overview of current research on environmentally friendly carbon capture technologies. Countries such as the United States, the United Kingdom, and India are leading research efforts in this field, emphasizing the importance of scientific collaboration. Despite these advancements, implementing these technologies in industrial sectors with high greenhouse gas emissions remains scarce. This underscores the need for public policies and financing to promote their development and application in these sectors. Future research should prioritize materials with high capture capacity, efficient transformation, and valorization of CO₂ while promoting circular economy approaches and decarbonizing challenging sectors, such as energy and transportation. Integrating environmentally friendly materials, energy optimization, and sustainable strategies is essential to position these technologies as key tools in the fight against climate change.

Twenty-four cannabinoids active against MRSA SA1199B and XU212 were optimized at WB97XD/6-31G(d,p), and several molecular descriptors were obtained. Using a multiple linear regression method, several mathematical models with statistical significance were obtained. The robustness of the models was validated, employing the leave-one-out cross-validation and Y-scrambling methods. The entire data set was docked against penicillin-binding protein, iso-tyrosyl tRNA synthetase, and DNA gyrase. The most active cannabinoids had high affinity to penicillin-binding protein (PBP), whereas the least active compounds had low affinities for all of the targets. Among the cannabinoid compounds, Cannabinoid 2 was highlighted due to its suitable combination of both antimicrobial activity and higher scoring values against the selected target; therefore, its docking performance was compared to that of oxacillin, a commercial PBP inhibitor. The 2D figures reveal that both compounds hit the protein in the active site with a similar type of molecular interaction, where the hydroxyl groups in the aromatic ring of cannabinoids play a pivotal role in the biological activity. These results provide some evidence that the anti-Staphylococcus aureus activity of these cannabinoids may be related to the inhibition of the PBP protein; besides, the robustness of the models along with the docking and Quantitative Structure–Activity Relationship (QSAR) results allow the proposal of three new compounds; the predicted activity combined with the scoring values against PBP should encourage future synthesis and experimental testing.