Brazilian Journal of Science

Molecular analysis coupling of some amino-derivatives with WRN exonuclease using a theoretical model

2025-07-01T08:57:02-03:00

Studies indicate that some types of cancer have been associated with Werner syndrome (WR), which is characterized by premature aging. Some WR inhibitors, such as camptothecin, HRO761, VVD-133214, and KWR05, have been used to treat this clinical pathology; however, the interaction of these drugs with some biomolecule related with WR is not clear. For this reason, in this study, the coupling of amino derivatives (compounds 1-25) with WRN exonuclease was determined using 2fbt protein, HOR761, NSC19630, NSC617145, and NCS drugs as theoretical tools in the DockingServer program. Besides, physicochemical parameters, such as HOMO (highest occupied molecular orbital), LUMO (lowest unoccupied molecular orbital), MR (molecular refractivity), and MV (molar volume), involved in the chemical structure of amino derivatives 1-25 were determined. The results showed differences in HOMO-LUMO, MR, and MV values for compounds 1-25. This data suggests that the reactivity of each compound depends on different functional groups involved in their chemical structure. Other data indicate that inhibition constant involved in the coupling of amino derivatives with 2fbt protein for compounds 3 (1.30), 6 (1.20), 7 (1.46), 8 (1.03), 14 (1.04), 15 (1.02), and 21 (2.57) was lower in comparison with the controls. These data indicate that these amino derivatives have higher affinity for the 2fbt protein surface, which may translate as changes in the biological activity of the WRN exonuclease and induce changes in cancer cell growth.

In silico evaluation of twenty-five amino derivatives as potential nitric oxide synthase inhibitors

2025-07-01T08:57:03-03:00

There are studies indicating that nitric oxide synthase can be involved in cancer cell growth. It is important to mention that some inhibitors of nitric oxide synthase can produce changes in cancer cell growth. However, there is little information on the interaction of some amino derivatives with nitric oxide synthase surface. The aim of this research was to determine the theoretical interaction of amino derivatives (compounds 1-25) with nitric oxide synthase using the 4d1o protein as a tool. Besides, L-NAME, ONO1714, and N-(3-(aminomethyl)benzyl)acetamidine drugs were used as controls in the DockingServer program. The results showed differences in the number of aminoacid residues and energy levels involved in the interaction of amino derivatives with the 4d1o protein surface compared with the controls. Furthermore, the inhibition constants for amino derivatives 4, 15, 20, 24, and 25 were lower compared to L-NAME and ONO1714 drugs. In conclusion, these theoretical results indicate that compounds 4, 15, 20, 24, and 25 have a higher affinity for the 4d1o protein surface. This data indicates that amino derivatives 4, 15, 20, 24, and 25 can exert changes in the biological activity of nitric oxide synthase. This phenomenon could translate into a decrease in cancer cell growth; however, to validate this hypothesis, it is necessary to perform different experiments in a biological model.

Silver nanoparticles as an antibacterial agent: a literature review

2025-07-01T08:57:01-03:00

Growing bacterial resistance to antibiotics represents a serious threat to global health. In this context, silver nanoparticles (AgNPs) have emerged as promising alternatives due to their potent antimicrobial effect and ability to inhibit biofilm formation. This study aims to evaluate the potential of AgNPs as antibacterial agents through a theoretical analysis. A qualitative systematic review was conducted on silver nanoparticles, focusing on their antimicrobial properties, using inclusion and exclusion criteria to select 27 relevant articles from the BVS and PubMed databases. The antibacterial activity of AgNPs is influenced by factors such as size, shape and stability, and they are effective at disrupting bacterial membranes and biofilms via the release of silver ions and the generation of reactive oxygen species (ROS), as well as depending on controlled conditions to optimize their efficiency and avoid aggregation. The findings indicate that AgNPs represent a promising alternative in the fight against bacterial infections, contributing significantly to the advancement of research in this area.

Genetic diversity of ghrelin gene SNPs in Nigerian Indigenous chickens and its influence on growth traits

2025-07-01T08:57:00-03:00

Genetic diversity in functional genes, such as the ghrelin gene, plays a significant role in understanding growth and productivity traits in chickens. This study investigates the genetic variability of the ghrelin gene in Nigerian indigenous chickens (NICs) and evaluates its potential influence on growth traits. Nigerian indigenous chickens are renowned for their adaptability to harsh environments, disease resistance, and cultural significance, but they are characterized by low productivity compared to exotic breeds. Blood was collected from samples of three major ecotypes of NICs: Naked Neck, Normal Feather, and Frizzle Feather. DNA was extracted, and polymorphisms in the ghrelin gene were identified using PCR amplification and sequencing techniques. Bioinformatic analyses were conducted to assess nucleotide diversity, haplotype frequency, and evolutionary dynamics of the gene. Phenotypic data on growth traits, including body weight, body length, chest circumference, shank length, beak length, comb length, and comb height, were recorded at different growth stages and correlated with identified ghrelin gene variants using statistical models. Results revealed high genetic diversity within the ghrelin gene, with several novel single-nucleotide polymorphisms (SNPs) detected. The polymorphisms were unevenly distributed across the gene regions, with some variants significantly associated with growth traits. Specific alleles were linked to enhanced BDW, BDL, CC, SHKL, BKL, CL, and CH, suggesting their potential role as genetic markers for growth performance. This research contributes to the growing knowledge on the genetic basis of growth traits in NIC populations. It emphasizes the need for conservation and sustainable utilization of NICs' genetic resources.

Evaluation of fungicide efficacy and agronomic viability for controlling Rhizoctonia solani-induced damping-off in soybean

2025-07-01T08:56:58-03:00

This study aimed to evaluate the agronomic efficacy of different fungicides applied via seed treatment for the control of Rhizoctonia solani AG-4 in soybean (Glycine max (L.) Merrill). The experiment was carried out in a greenhouse in Rio Verde, GO, Brazil, during the 2023/2024 growing season, using the Bônus 8579RSF IPRO cultivar previously inoculated with the pathogen. Nine treatments, including controls, were tested at the manufacturers' recommended doses. The evaluated parameters included emergence, vigor, shoot height, root length, pre- and post-emergence damping-off, disease index, and product efficacy. The experimental design was completely randomized with four replications. Results showed that the treatments Fludioxonil + Metalaxyl-M + Thiabendazole and Thiophanate-methyl + Fluazinam exhibited the highest control efficacy, reducing the disease index by 73.79% and 58.39%, respectively. It is concluded that seed treatment is an effective and viable strategy for the preventive management of Rhizoctonia solani during the initial development stages of soybean cultivation.