The aim of this study was to isolate the phytoconstituents and evaluate the biological activities of Berberis hispanica. Three phenolic compounds (tamarixetin, caffeic acid and rutin) were isolated from B. hispanica. The structures of the pure compounds were elucidated by spectroscopic and mass-spectrometric analyses, including 1D-, 2D-NMR, and HPLC-TOF/MS. In addition, antimicrobial, anti-oxidant and anti-proliferative effects of the extracts, some fractions and isolated compounds were evaluated. The extracts of B. hispanica were evaluated against six bacterial strains and exhibited the highest activity against Klebsiella pneumonia (15 mm at 100 mg/mL). Fraction T36 (IC50<5 μg/mL) from the n-butanol extract displayed higher radical scavenging activity than butylated hydroxytoluene. The isolated compounds were evaluated for their antiproliferative effects against human cervical adenocarcinoma (HeLa) cell line by real time cell analyzer assay and tamarixetin exhibited the remarkable effect (IC50<50 μg/mL) on HeLa cells. This study supports the documented medicinal effects of B. hispanica. Video Clip of Methodology: Antiproliferative Assay: 4 min 31 sec Click to watch

The objective of this work is to study the anti-inflammatory effect in vitro and in vivo of microwave (MW) extracts of Thymus algeriensis. The in vitro study was performed by the human red blood cell protection test, while the in vivo study used the carrageenan-induced rat paw edema model. The experimental results were confirmed by a molecular docking calculation. The results indicated that all the microwave extracts have a moderate anti-inflammatory effect, depending on their richness in phenolic compounds. Among the extracts studied, the one obtained at 100 °C for 15 min exhibited the most pronounced anti-inflammatory effect, with an inhibition of 78.52%, which is attributed to its high flavonoid content. In particular, the flavonoids naringin and catechin showed the best affinity for the target protein, with values of −10.3 kcal/mol and −9.2 kcal/mol, respectively, as well as low inhibition constants of 0.028 μM and 0.18 μM. These results indicate that these flavonoids generate interactions that enhance the stability of the target ligand–protein complex, thus contributing to the observed anti-inflammatory effect.

The objective of this work is to study the anti-inflammatory effect in vitro and in vivo of microwave extracts (MW) of Thymus algeriensis. The in vitro study was performed by the human red blood cell protection test, while the in vivo study used the carragee-nan-induced rat leg edema model. The experimental results were confirmed by a mo-lecular docking calculation. The results indicated that all microwave extracts have a moderate anti-inflammatory effect, depending on their richness in phenolic com-pounds. Among the extracts studied, the one obtained at 100°C for 15 minutes showed the most pronounced anti-inflammatory effect, with an inhibition of 78.52%, which is attributed to its richness in flavonoids. In particular, the flavonoids Naringine and Catechin showed the best affinity for the target protein, with values of -10.3 kcal/mol and -9.2 kcal/mol, respectively, as well as low inhibition constants of 0.028 μM and 0.18 μM. These results indicate that these flavonoids generate interactions that enhance the stability of the target ligand-protein complex, thus contributing to the observed an-ti-inflammatory effect.

In this work, the synthesis, structural characterization, and multi-faceted biological and industrial evaluation of the Schiff base (E)-2-(((4-methoxynaphthalen-1-yl)methylene)amino)phenol MNMAPh are reported. The compound was synthesized through a condensation reaction between 4-methoxynaphthalene-1-carbaldehyde and 2-aminophenol, with its structure confirmed via 1H and 13C NMR, FT-IR spectroscopy, and single-crystal X-ray crystallography. Computational studies, including Density Functional Theory (DFT) at the ωB97X-D/6-31+G(d) level and Hirshfeld surface analysis, were employed to investigate molecular geometry and interatomic interactions. Biological assays revealed that MNMAPh possesses potent antioxidant activity, particularly in the ABTS assay (IC₅₀ = 1.84 ± 0.04 µg/mL), which was statistically comparable to the reference BHA. Antibacterial testing showed a selective spectrum of activity, with a significant dose-dependent inhibitory effect against Salmonella enterica (27.33 ± 1.15 mm at 50 mM), while showing resistance against Staphylococcus aureus and Escherichia coli. Furthermore, the compound demonstrated high efficacy as a corrosion inhibitor for X60 steel in 1 M HCl, achieving an inhibition efficiency of 86.0% through a mixed-type inhibition mechanism. Molecular docking simulations supported these findings, illustrating favorable binding interactions with bacterial targets such as DNA gyrase. These findings suggest MNMAPh as a promising candidate for further in-depth pharmaceutical investigations and material science applications.