Chemistry & Biodiversity最新文献

Polycystic Ovarian Syndrome (PCOS) is characterized by metabolic and reproductive dysfunction, often associated with elevated oxidative stress markers in the bloodstream. This study examines the potential antioxidant properties and α-amylase inhibitory activity of Artemisia campestris leaves extract (Artemisia campestris L) and its effects on rats with induced PCOS. Estradiol valerate was administered to ten mature Wistar rats to induce PCOS, while a control group consisted of five mature Wistar rats. Following a 16-day induction period, the rats were categorized into three groups: a control group, a PCOS group, and an experimental group receiving 200 mg/kg body weight of A. campestris L. extract orally for 15 days. Serum levels of follicle-stimulating hormone (FSH) and luteinizing hormone (LH) were measured using the ELISA technique. The group treated with A. campestris L. extract exhibited significantly reduced LH levels compared to the PCOS group. Histomorphometric analysis indicated notable changes in follicle counts and the thickness of the theca layer. These findings suggest a significant alleviation of PCOS symptoms, potentially linked to the effects of A. campestris L. on oxidative stress pathways. Furthermore, aqueous extracts of A. campestris L. displayed potent in vitro inhibition of α-amylase, with an IC50 value of 2.418 µg/mL.

A series of innovative benzo[4,5]imidazo[1,2-b]pyrazole scaffold containing compounds were rationally designed through a ring-closure scaffold hopping strategy and synthetized with an intermediate derivatization approach. Physicochemical properties analysis indicated the potential pesticide-likeness of the target compounds. The optimal target compound A14 showed relatively good insecticidal activity against P. xylostella, with an LC50 value of 37.58 mg/L, and demonstrated lower acute fish toxicity compared to fipronil. Docking binding mode analysis demonstrated that compound A14 bound to GABAR through a H-bond between the amide group and the residue of 6'Thr. The differences in binding modes between benzo[4,5]imidazo[1,2-b]pyrazole target compounds and fipronil may be a key factor for the reduced insecticidal activities. The elucidated binding mode and SAR profile lay a foundation for the further structural optimization of insecticidal benzo[4,5]imidazo[1,2-b]pyrazole derivatives.

Platycladus orientalis leaves are widely used in traditional medicine to treat different ailments. In the present study, the volatile constituents were obtained by n-hexane extraction and hydrodistillation. Comprehensive metabolomic profiling was performed using GC-MS analysis. Furthermore, in vitro antioxidant potential and enzyme-inhibitory activity were assessed and supported by in silico profiling. Results revealed the predominance of monoterpene hydrocarbons in the hydrodistilled volatile oil (42.30%) followed by oxygenated sesquiterpenes (32.10%); with cedrol as the main component. Diterpenoids (49.70%) and sesquiterpene hydrocarbons (13.43%) were the major components of the n-hexane extract; with vulgarol A, a diterpene alcohol, as the major constituent. The volatile oil demonstrated significantly higher antioxidant potential across all assays, including ABTS and DDPH scavenging activity, CUPRAC, and FRAP assays. However, the n-hexane extract demonstrated broad inhibitory effects against butyrylcholinesterase, tyrosinase, α-amylase, and α-glucosidase enzymes, supported by molecular docking study and predictive ADME profiling. Therefore, it may be concluded that the n-hexane extract is a viable option for treating dysregulated enzyme conditions. In addition, the potential use of volatile oil in the pharmaceutical industries and management of oxidative stress can be inferred. These results warrant further studies to validate the therapeutic potential of the volatile oil and the n-hexane extract.

In recent years, polysaccharides from Codonopsis pilosula (CPs) have received increasing attention for their excellent behaviors in immune-regulation. However, the relationship between the structure and immunomodulatory activity has rarely been reported. In this work, four fractions purified from crude CPs (CPW, CPS0.2, CPS0.5, CPS1) by chromatographic column separation were explored with both structure and immunomodulatory effects by THP-1 cells. The results showed that the monosaccharide composition, chain conformation, molecular weight (Mw) and aggregated state of CPs were different. At the same time, the immunomodulatory effects of CPs were also varied depend on structure differences, as indicated by the released cytokines of TNF-α and IL-1β by LPS-induced THP-1 cells. Finally, we summarized and concluded that the spherical structure and smaller particle size of CPs were the key factors attributed to better immune-enhancing effects. The results showed that the monosaccharide combination differences of polysaccharides might lead to anti-inflammatory or pro-inflammatory activity. Moreover, the higher percentage of glucose, the relatively large particle size, as well as the extended chain conformation of CPs might be the key factors attributed to better immune-enhancing effects. This study aims to provide a theoretical basis for establishing the structure-activity relationship of CPs.

Phytotherapy, the use of plant-derived compounds for medicinal purposes, is increasingly recognized as a vital component of modern therapeutics. This study investigates the aqueous extract of Origanum majorana L. (AEOM), evaluating its phytochemical composition, safety, antioxidant activity, and pharmacological effects. Analysis via LC-MS/MS identified a variety of phenolic compounds, with gallic acid, caffeic acid, and chlorogenic acid standing out for their pronounced bioactive properties. Quantitative analysis revealed that AEOM contains significant amounts of polyphenols (186.06 ± 0.1 mg GAE/g), flavonoids (72.3 ± 0.9 mg QE/g), and condensed tannins (4.49 ± 0.08 mg CE/g). The extract exhibited strong antioxidant activity, with an IC₅₀ value of 2.23 ± 0.03 mg/mL in the DPPH assay, and demonstrated considerable reducing power (FRAP value of 1.9 ± 0.01 mg Fe²⁺/g). Pharmacological evaluation showed that AEOM significantly reduced pain in an animal model, suggesting potential analgesic properties. Acute toxicity studies indicated no adverse effects on kidney and liver function or blood parameters at doses up to 800 mg/kg. The analgesic effect is likely mediated by flavonoids in the extract, which may inhibit pain pathways. These findings suggest that O. majorana has promising therapeutic applications, particularly as a natural analgesic agent.

The current work aims to optimize the ultrasound-assisted extraction (UAE) of Cistus salviifolius L. (aerial parts) antioxidative phenolic compounds using response surface methodology. A Box-Behnken design has been conducted to investigate the effect of four factors, namely: (i) percentage of ethanol (50-90%, v/v), (ii) temperature (40-80°C), (iii) solvent-solid ratio (10-50 mL g-1) and (iv) extraction time (5-25min) on four responses, namely: total phenolic content (TPC), total flavonoid content (TFC) 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical inhibition, and ferric reducing antioxidant power (FRAP). Based on the desirability index, UAE with 50% (v/v) ethanol, at 80 oC, using a solvent-solid ratio of 32.24 mL g-1, for 21 min resulted in the maximum recovery of phenolic antioxidants. Under optimum conditions, the experimental values of TPC, TFC, % DPPH scavenging activity, and FRAP were 171.67 ± 4.69 mg GAE g-1, 26.87 ± 0.78 mg CE g-1, 81.31 ±  0.16%, and 1038.22 ± 7.69 μmol TE g-1, respectively. Results highlight that the developed eco-friendly method is appropriate for the improved recovery of phenolic antioxidants from C. salviifolius L.

The low effectiveness of currently available antibiotics is driving efforts worldwide to create new antimicrobial medicines. We made several novel formazan chemicals, including sulfonamides, and assessed how well they may work against bacteria. Consequently, attempts were undertaken to combine the moieties of formazan and sulfonamide to produce new derivatives or more effective antibacterial drugs. Condensing sulphanilamide with benzaldehydes in the presence of glacial acetic acid and ethanol produced a Schiff base of sulphonamide, which when combined with substituted benzene diazonium chlorides (2a-g) during condensation yields formazan derivatives (3a-g). Based on analytical and spectral data (IR, 1HNMR, and mass), the structures of all the synthesized compounds were described, and they agree well with the suggested ones. Using Ciprofloxacin and Ketoconazole as reference medications, the Agar diffusion method was utilized to assess the antibacterial activity of the synthesized compounds by measuring the zone of inhibition against harmful strains of bacteria and fungi. In contrast to the norm, every molecule examined has demonstrated a notable level of antibacterial activity.

In order to deeply explore the effect of para-substituents on the antibacterial activity of N-benzyl-3-methylbuten-2- enamide derivatives, we elaborately synthesized three such para-substituted derivatives (compound a: N-(4-hydroxybenzyl)-3-methylbut 2- enamide; compound b: N-(4-isobutoxybenzyl)-3- methylbut-2-enamide; compound c: N-(4-isopropoxybenzyl) -3-methylbut-2- enamide), of which the structures were determined by ways of single crystal X-ray diffraction data analysis mainly. The antibacterial performance experiments showed that compounds a, b and c were evaluated for their antibacterial (Escherichia coli, Staphylococcus aureus, and Enterobacter aerogenes) activities. Among them, compounds a, b and c have an effective antibacterial reagents for E. coli exhibiting MIC values of 0.01, 0.01 and 0.01 g/mL, respectively, but inactive for E. aerogenes. In addition, compounds b and c have better activity than compound a against S. aureus with MIC values of 0.01 and 0.02 g/mL. These results provide an important basis for further study of the antibacterial properties and structure-activity relationship of these compounds, and are expected to provide valuable reference for the development of new antibacterial drugs.

HIV-1 remains a major health problem worldwide since the virus has developed drug-resistant strains, so, the need for novel agents is urgent. The protein reverse transcriptase plays fundamental role in the viruses' replication cycle. FDA approved Delavirdine bearing a sulfonamide moiety, while thiazolidinone has demonstrated significant anti-HIV activity as a core heterocycle or derivative of substituted heterocycles. In this study, thirty new thiazolidinone derivatives (series A, B and C) bearing sulfonamide group were designed, synthesized and evaluated for their HIV-1 RT inhibition activity predicted by computer program PASS taking into account the best features of available NNRTIs as well as against SARS-COV-2 main protease. Seven compounds showed good anti-HIV inhibitory activity, with two of them, C1 and C2 being better (IC₅₀ 0.18 μΜ & 0.12 μΜ respectively) than the reference drug nevirapine (IC₅₀ 0.31 μΜ). The evaluation of molecules to inhibit the main protease revealed that 6 of the synthesized compounds exhibited excellent to moderate activity with two of them (B4 and B10) having better IC₅₀ values (0.15 & 0.19 μΜ respectively) than the reference inhibitor GC376 (IC₅₀ 0.439 μΜ). The docking studies is coincides with experimental results, showing good binding mode to both enzymes.

An analysis was conducted on the essential oil extracted from the leaves of Magnolia bidoupensis utilizing GC-MS, revealing thirty-three constituents that account for 98.9% of the essential oil. The main components included pogostol (22.4%), δ-selinene (16.2%), and α-amorphene (14.7%). Bioassays were then performed to evaluate the oil's biological activity. The essential oil exhibited antimicrobial activity against all tested microorganisms (six bacterial strains and one fungal strain) using the minimum inhibitory concentration (MIC) method. Additional cytotoxicity tests were conducted on KB, HepG2, MCF-7, and A549 cancer cell lines using the MTT method. The essential oil exhibited strong cytotoxic effects on all four cell lines, with IC50 values ranging from 1.37 ± 0.05 μg/mL (KB) to 2.40 ± 0.06 μg/mL (A549).