Nassima Boutaoui

Addressing both bacterial infections and inflammation necessitates the development of innovative therapeutic strategies that mitigate the risks associated with polypharmacy. The targeted quinoline hydrazone derivatives ( 6a – j ) were synthesized via a two‐step process, beginning with the preparation of the essential quinoline hydrazide intermediate 5 , followed by its condensation with substituted aromatic aldehydes. Advanced spectroscopic techniques, including ¹ H NMR, ¹³ C NMR, and HRMS, confirmed their structures. Comprehensive computational studies, comprising DFT, molecular docking, and molecular dynamics, were performed to establish structure–activity relationships and substantiate the biological results. The derivatives exhibited notable dual activity; specifically, 6a ( p ‐OH) displayed the highest antibacterial efficacy against Escherichia coli (MIC = 31.25 µg/mL). Compound 6d ( p ‐Cl) demonstrated the fastest onset of in vivo anti‐inflammatory activity, exceeding diclofenac. Most compounds demonstrated comparable or slightly reduced in vitro anti‐inflammatory activity (81.25%–94.59% hemolysis inhibition). Molecular dynamics simulations confirmed the stability and robust binding interactions at the active sites of COX‐2 and bacterial DNA gyrase B. ADMET predictions indicated favorable bioavailability and drug likeness. This study underscores the potential of the nonacidic quinoline hydrazone scaffold as a versatile platform for the development of multi‐target therapeutics and offers valuable SAR insights to guide the design of safer, more efficacious agents.

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.

The current study aims to maximize the recovery of antioxidant phenolics from Algerian Trifolium tomentosum L. using an innovative green process: ultrasonic assisted extraction (UAE). Firstly, four different solvents were used: 50% acetone, 50% ethanol, 50% methanol, and 100% ethyl acetate, as well as four different extraction methods: maceration, refluxed extraction, Soxhlet extraction, and UAE. The classification of the best solvent (50% ethanol) and most effective extraction method (UAE) on the basis of quantified total phenolic content (TPC) led to the second part, which focused on optimizing the UAE using response surface methodology (RSM) and a Box Behnken design (BBD). Algerian Trifolium tomentosum L. extract demonstrated intriguing total phenolic and flavonoid contents (TPC and TFC) greater than 30 mg GAE/g DW and 6 mg QE/g DW, respectively, and potential total antioxidant capacity (TAC), closer to 20 mg AAE/g DW, under the optimal conditions with 70% ethanol concentration, an extraction time of 30.45 minutes, and an extraction temperature of 75°C. Based on these findings, Algerian Trifolium tomentosum L. optimized extract can be used as a green natural ingredient in cosmetic formulations as well as a food preservative.