The present study investigates the phytochemical composition and biopesticidal efficacy of bark extracts from four medicinal plants—Terminalia arjuna, Neltuma juliflora, Saraca asoca, and Cinnamomum verum—against the stored-grain pest Tribolium castaneum (Herbst). Bark samples were taxonomically authenticated, extracted using standardized protocols, and subjected to qualitative phytochemical screening, revealing abundant alkaloids, flavonoids, terpenoids, phenolics, and other secondary metabolites. GC–MS profiling, supported by retention time, fragmentation patterns, and library match scores, identified several bioactive constituents, with T. arjuna and N. juliflora displaying the highest diversity and peak abundance. Repellency and toxicity bioassays, conducted with three independent replicates, demonstrated a significant concentration- and time-dependent response. One-way ANOVA followed by LSD post-hoc analysis confirmed statistically significant differences among treatments, while probit analysis provided LC50 values with 95% confidence intervals, establishing T. arjuna as the most potent extract. In-silico molecular docking further highlighted compounds such as ellagic acid, catechin, quercetin, and luteolin as strong binders to key insect enzymatic targets, showing interaction energies comparable to or exceeding those of the synthetic insecticide malathion. Collectively, the integrated chemical, biological, and computational evidence underscores the promise of T. arjuna and N. juliflora bark extracts as effective, biodegradable, and environmentally safe biopesticide candidates. The findings support further purification, SAR-guided optimization, and field-scale validation of the active compounds for sustainable pest-management applications.
A series of novel substituted benzaldehyde derivatives of 4-Amino-7H-pyrrolo[2,3-d]pyrimidine (4A7HPP), designated as compounds 1a–1d, were synthesized under microwave irradiation, providing a safe, cost-effective, and efficient alternative to conventional procedures. The condensation of 4A7HPP with hydroxybenzaldehyde analogues in DMF afforded the corresponding imine derivatives in high yields (71.54–85.02%) with reduced reaction time and solvent consumption. The synthesized compounds were characterized by 1H NMR, FT-IR, UV–Vis spectroscopy, and elemental analysis, confirming the presence of characteristic azomethine (–CH=N–) and aromatic proton signals. The compounds exhibited significant antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa (MIC: 7.5–28 mm), surpassing the standard drug streptomycin. Notably, antifungal evaluation against Candida albicans and Saccharomyces cerevisiae demonstrated activity up to 2.5 times greater than fluconazole. Molecular docking studies performed against target proteins—S. aureus DHFR (PDB ID: 2W9H), E. coli DHFR (PDB ID: 1RX2), and C. albicans ERG11 (PDB ID: 5TZ1)—revealed stronger binding affinities for compounds 1b and 1d (−8.3 to −9.0 kcal mol−1) compared with reference ligands, supported by low RMSD values (0.655–0.785 Å). Brine shrimp lethality bioassay indicated moderate cytotoxicity (LD50: 3.50–8.50 × 10−4 M). ADME analysis suggested favorable pharmacokinetic profiles, high gastrointestinal absorption, and compliance with Lipinski’s rule of five. These results highlight compounds 1a–1d as potential lead molecules for the development of new antimicrobial and antifungal agents, warranting further biological and pharmacological investigations.
A series of novel 2-methyl-5-[2-(substituted)phenyl]-1,3,4-oxadiazole derivatives (6a–6i) was synthesized via a multi-step protocol starting from commercially available salicylic acid (1). The initial esterification of salicylic acid using thionyl chloride and ethanol at 80 °C for 12 h yielded ethyl 2-hydroxybenzoate (2), which was subsequently converted to 2-hydroxybenzohydrazide (3) upon treatment with hydrazine monohydrate in ethanol at 80 °C for 2 h. Acetylation of intermediate 3 with acetic anhydride afforded N’-acetyl-2-hydroxybenzoate (4), which was reacted with various halo compounds (4a–4i) to produce a series of N’-acetyl-2-(substituted)oxybenzohydrazides (5a–5i). These key intermediates were cyclized using triphenylphosphine, triethylamine, carbon tetrachloride, and acetonitrile at 100 °C for 1 h to furnish the final oxadiazole derivatives (6a–6i). The compounds were purified using appropriate chromatographic techniques and fully characterized by 1H NMR, 13C NMR, FTIR, and mass spectrometry. Biological screening of the synthesized compounds revealed that several derivatives, particularly 6c, 6d, and 6g, exhibited promising antimicrobial and antioxidant activities. Notably, compound 6a demonstrated significant cytotoxicity against HeLa cancer cells. Molecular docking studies further supported the biological potential of the compounds, with 6e displaying a high docking score of –5.66 kcal/mol.
Shea butter is a natural moisturizer used to improve skin health. This study investigates its effects on skin barrier function, hy-dration, and lipid profile, using analytical chemistry methodologies. Trans-Epithelial Water Loss (TEWL), corneometry, im-pedance spectroscopy, and gas chromatography-mass spectrometry (GC-MS) were used to assess skin barrier function, hydra-tion, and lipid profile after shea butter application. Results show that TEWL decreased by 37.8% after 24 hours (p < 0.01), Skin hydration increased by 58% after 24 hours (p< 0.001). Impedance spectroscopy showed a 33% increase in skin imped-ance, GC-MS analysis revealed a balanced fatty acid composition in shea butter, ceramide profiling showed six subclasses, with Ceramide 1 and 2 being the most abundant. The results demonstrate shea butter's efficacy in improving skin barrier func-tion, hydration, and lipid profile. The rapid decrease in TEWL and increase in skin hydration suggest immediate effects on skin lipids. Shea butter's fatty acid composition contributes to its moisturizing and barrier-enhancing properties. This study provides evidence for the benefits of shea butter in maintaining healthy skin. Its natural moisturizing properties make it a valuable in-gredient in skincare products.
