Aleyna Nalcaoglu Senocak

Bis-imidazolium derivatives (3e, 3f, 3g) were evaluated for their inhibitory activity against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and human immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT) using colorimetric assays and molecular docking. For the HIV-1 RT–3e complex, a 100 ns molecular dynamics (MD) simulation and Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) analysis were performed. Compound 3e emerged as the most active derivative, showing the lowest half-maximal inhibitory concentration (IC₅₀) values: 13.36 µg/mL for AChE, 4.95 µg/mL for BChE, and 50.44 µg/mL for HIV-1 RT. Nevirapine produced 95.33% RT inhibition at 20 µM. Redocking validated the binding poses with root-mean-square deviation (RMSD) values below 2.0 Å, though docking scores lacked consistent correlation with experimental activity rankings. In the MD trajectory, 3e remained stable within the RT binding pocket, yielding an MM/GBSA energy of −51.04 ± 8.39 kcal/mol. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) predictions indicated low gastrointestinal absorption, no blood–brain barrier permeation, and a high-confidence human ether-à-go-go-related gene (hERG) potassium channel blockade alert. These findings highlight 3e for further optimization.

Brevibacillus agri was immobilized onto an abundant natural clay through a simple synthesis route to develop a novel and efficient adsorbent for the removal of Pb(II) ions from aqueous media. The adsorption behavior of Brevibacillus agri-loaded clay (BLC) was evaluated using batch experiments by investigating the effects of initial solution pH, BLC dosage, contact time, initial Pb(II) concentration, temperature, and the presence of foreign ions. The optimum conditions were determined to be an initial solution pH of 5.0 and a contact time of 120 min. Isotherm models were applied to elucidate the interactions between Pb(II) ions and BLC, while kinetic studies were conducted to evaluate the adsorption performance and underlying mechanisms. The maximum adsorption capacity of BLC was 65.4 mg g-1. Thermodynamic parameters revealed that Pb(II) adsorption on BLC was exothermic, feasible, and spontaneous at 25ºC. Artificial neural network (ANN) studies provided highly accurate predictions by modeling and confirmed the reliability and applicability of the model for Pb(II) removal in industrial applications. This study presents an innovative and sustainable approach for heavy metal removal, offering an effective solution applicable to environmental remediation processes.

In the present study, a novel Schiff base derived from pyridine-4-carboxaldehyde and 4-aminobutan-1-ol was synthesized via a condensation reaction and purified by recrystallization from a DMF/water solvent system. The compound was characterized by IR, 1H-NMR, and 13C-NMR studies. The pharmacological potential of a synthesized compound was evaluated through cell viability and enzyme inhibition assays. The compound exhibited selective cytotoxicity toward MCF-7 breast cancer cells compared to non-tumorigenic MCF-10A cells, with IC₅₀ values of 6.5 mM and 21.8 mM, respectively. In enzyme inhibition studies, the compound showed dose-dependent inhibitory activity against HIV-1 reverse transcriptase, acetylcholinesterase, and α-glucosidase, with IC₅₀ values ranging from 11 to 14 mM. Notably, HIV-1 RT displayed higher sensitivity at lower concentrations. These findings suggest that the compound has multi-target pharmacological potential and may serve as a promising lead for further investigation. Molecular docking was employed to evaluate the binding behavior of a newly synthesized Compound I against HIV-1 reverse transcriptase, epidermal growth factor receptor, and acetylcholinesterase. Docking results revealed that Compound I exhibited moderate binding affinity toward all three targets, with a relative preference for acetylcholinesterase, as evidenced by favorable binding energies and key intermolecular interactions. Although its predicted affinities were lower than those of established reference inhibitors, Compound I demonstrated stable binding orientations and conserved interaction patterns within the active sites. These findings suggest that Compound I may serve as a promising lead scaffold for further structure-based optimization.

The increased use of plastic materials, including polyethylene terephthalate (PET), has caused serious environmental pollution. Due to the lack of effective methods for PET degradation and recycling, new methods such as microbial plastic degradation are being investigated. In this study, soil samples were collected from an old waste dumping site located in Trabzon/Turkiye and screened for PET-degrading bacteria. Three isolates were determined to use PET as sole carbon source. Based on 16S rRNA sequences, strain PETDeg 3 and 4 were identified as Bacillus licheniformis, and strain PETDeg 5 as Acinetobacter junii. Biodegradation of PET by bacteria was assessed using weight loss, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscope (SEM) methods. In a 28 days of degradation study using PET films, incubation with PETDeg 3, PETDeg 4, and PETDeg 5 resulted in 0.42%, 0.75%, and 0.25% of weight loss respectively. SEM revealed obvious structural changes such as roughness, fissures and cracks on the surfaces of the PET films.

This study focuses on the taxonomic relationship between Fontibacillus solani LMG 28458 ^T and Fontibacillus panacisegetis CECT 7605ᵀ using whole-genome-based phylogenetic and comparative genomic approaches. Although the 16S rRNA gene sequence of F. solani LMG 28458ᵀ shared 99.03% similarity with F. panacisegetis CECT 7605ᵀ, it was previously described as a separate species based on differences in G+C content and phenotypic traits. However, our analyses revealed that average nucleotide identity, average amino acid identity and digital DNA–DNA hybridization values between the two strains exceed the accepted thresholds for species delineation. Phylogenomic analysis further confirmed that both strains form a monophyletic clade, indicating a close evolutionary relationship. Comparative analyses of the protein and genome sequences of the bacteria supported their classification as similar species. These results, combined with high overall genomic similarity, support the reclassification of F. solani as a later heterotypic synonym of F. panacisegetis .

Pulmonary arterial hypertension (PAH) is a devastating cardiovascular disorder caused by right heart failure leading to premature death. The TGFBR2 and BMPR-II receptors, which are members of the TGF-β receptor family, are considered promising targets for developing novel drugs in PAH. Lupeol and ψ-taraxasterol, naturally occurring triterpene molecules with proven anti-inflammatory, anti-cancer, and cardioprotective activities, hold considerable potential in the treatment of PAH. Hence, the present study aimed to evaluate the impacts of lupeol and ψ-taraxasterol isolated from Cirsium sintenisii Freyn on the TGF-β and BMP pathways, aiming to determine their therapeutic values in PAH. The effects of the compounds were extensively investigated using both in silico and wet lab experiments, including reporter assays, RT-PCR/QPCR, Western blots, and cell proliferations assays. Both lupeol and ψ-taraxasterol demonstrated interactions with the majority of components of these signaling pathways, including the TGFBR2 and BMPR-II receptors, suggesting that both compounds were capable of modulating the BMP and TGF-β pathways. Data derived from reporter assays, RT-PCR/QPCR, and Western blots demonstrated that lupeol and ψ-taraxasterol inhibited the TGF-β signaling pathway by reducing the phosphorylation of the SMAD3 protein and the expression of pai-1 transcripts. Additionally, ψ-taraxasterol enhanced BMP signaling via regulating the phosphorylation of SMAD1/5 proteins and upregulated the expression of id-1 transcripts. Finally, lupeol and ψ-taraxasterol inhibited abnormal proliferation of mutant-type (bmpr2^R899X+/-) PAMSCs stimulated with the TGF-β1 ligand with no discernible effects on wild-type cells. This is the first comprehensive report outlining the potential therapeutic effects of lupeol and ψ-taraxasterol in PAH, which may have immediate experimental and clinical applications not only in PAH but also other BMP- and TGF-β-associated disorders.

The current study targeted to perform qualitative and quantitative analysis of medicinal plant taxa used in folk medicine in Trabzon. Due to its historical significance, diversity of plant species, and hosting a wide range of cultures, the Turkish city of Trabzon has significant ethnobotanical potential. Ethnobotanical data including family name, scientific name, local name, used parts, therapeutic uses, preparation methods, administration routes, and cited locations were gathered by face-to-face interviews with 645 participants mostly over 50 years old. The quantitative analyses were executed by the determination of frequency values of citation (FC), use value (UV), fidelity level (FL), and informant consensus factor (ICF). A total of 119 medicinal plant taxa belonging to 55 families were recorded with therapeutic uses for more than 100 different diseases. The most commonly used plant part and administration routes were detected as leaves (32.43%) and oral application (51.58%), respectively. The highest ICF value was assigned for the skin diseases (ICF: 0.96). Piceae orientalis possessed the highest value of FC (82.326%), while Plantago major owned the highest value of UV (0.873). Tilia rubra subsp. caucasica, Vaccinium myrtillus, and Nicotiana tabacum were the remarkable taxa due to their FL value (100%), besides the high number of user reports. The present study supplies comprehensive ethnobotanical qualitative and quantitative data (FC, UV, FL, and ICF) from 80 villages in Trabzon. The obtained ethnobotanical data are expected both provide the preliminary information to discover novel herbal drugs and passing on to next generations as an important heritage.