Phytochemical Analysis of Thottea duchartrei Leaf Extract Using High‐Resolution LC–MS/MS and Evaluation of its Antioxidant, Anti‐Inflammatory and Antibacterial Efficacy

Multifunctional bioactivities of Phyllanthus emblica L. fruit extracts: linking phytochemical profiling to antileishmanial, antioxidant and antibacterial effects in vitro and in vivo

Unveiling the antioxidant and antimicrobial potential of Astragalus tephrosoides methanol extract: Phytochemical screening, GC-MS profiling, computational and experimental approaches.

BACKGROUND Plant-derived bioactive compounds have significant pharmaceutical applications. OBJECTIVES This study focused on the methanol extract of Astragalus tephrosoides (A. tephrosoides) to evaluate its phytochemical composition, biological activities and in-silico properties. METHOD Phytochemical screening, GC-MS profiling, antioxidant (DPPH), antimicrobial and phytotoxic assays were performed. Molecular docking against bacterial proteins (DNA gyrase, lanosterol-14-α-demethylase, PBP2A and chitin synthase) and density functional theory (DFT) analyses were conducted for the bioactive compounds identified by GC-MS. RESULTS Phytochemical analysis confirmed the presence of alkaloids, steroids, terpenoids, saponins, phenolics, volatile oils and coumarins in the extract. GC-MS analysis revealed the presence of 17 bioactive compounds. The extract exhibited notable antioxidant activity (IC50 = 0.66 mg/mL), comparable to that of ascorbic acid (IC50 = 0.58 mg/mL). Antibacterial effects were observed with net absorbance values of 0.860 (E. coli, P. aeruginosa), 0.770 (B. subtilis), 0.656 (S. aureus) and 0.550 (S. typhi) and MICs of 1.0-0.12 µg/mL. The extract exhibited antifungal activity comparable to that of miconazole and moderate phytotoxicity (66.6%) at 1000 μg/mL. Docking revealed moderate binding affinities, while DFT analysis revealed significant HOMO/LUMO gaps, indicating their thermodynamic stability. CONCLUSION A. tephrosoides contains bioactive compounds with promising antioxidant, antimicrobial and moderate phytotoxic activities, as supported by computational studies.

Integrated Phytochemical Screening, LC–MS Analysis, and Molecular Docking Approach to Evaluate the Therapeutic Potential of Mentha arvensis Leaves

Mentha arvensis L. (Japanese mint) is an aromatic medicinal plant widely recognized for its diverse therapeutic applications. The present study aimed to evaluate the phytochemical composition, LC-MS, antioxidant, antidiabetic, and in-silico potential of M. arvensis leaf extracts. Solvent extract of leaves was analysed qualitatively, which indicated the presence of alkaloids, flavonoids, tannins, phenolics, terpenoids, glycosides, and saponins. The extract exhibited anti-inflammatory activity. The antidiabetic activity of the extract was evaluated against pancreatic alpha amylase using the DNS method. The extract showed dose dependent activity with an IC50 value of 171.77 µg/mL, indicating inhibition of the amylase enzyme. At higher concentration, the extract reduced enzyme activity by 75%. LC–MS analysis identified bioactive compounds like caffeic, p-coumaric, rosmarinic acids, isoorientin, luteolin, hesperidin and carnosic acid. The interaction of these with 4W93 (Human pancreatic alpha-amylase) and 1B2Y (Human pancreatic alpha-amylase) was investigated using in silico molecular docking. The ligands luteolin and rosmarinic acid showed the highest binding energy of -7.5 Kcal/mol as compared to other ligands like isoorientin, p-coumaric acid, hesperidin and carnosic acid, which exhibited a binding affinity of −7.01 kcal/mol to -5.63 kcal /mol against two enzymes. ADMET analysis also indicated favourable pharmacokinetic properties and low toxicity of luteolin. This suggests that Mentha arvensis could serve as a promising natural resource for the pharmaceutical industry in developing eco-friendly, plant-based antidiabetic formulations.

GC-MS analysis, phytochemical profiling, antioxidant, antibacterial and antibiofilm properties of Desmodium gangeticum leaf extracts in relation to staphylococcus aureus: In vitro and in silico studies

Bioactive Potential of Moroccan Ruta chalepensis: Polyphenol-Rich Extracts with Antioxidant and Anti-Staphylococcus aureus Activities

The accelerating global crisis of antimicrobial resistance and oxidative stress-related diseases has intensified the search for novel therapeutic agents derived from natural sources. Polyphenolic compounds, abundant in many medicinal plants, have emerged as key candidates due to their potent antioxidant and antimicrobial properties. Ruta chalepensis L., a perennial species belonging to the Rutaceae family, is traditionally used in Mediterranean ethnomedicine for its antiseptic, anti-inflammatory, and digestive properties. In Morocco, where phytotherapy forms a cornerstone of rural healthcare practices, this species remains underexplored despite its wide distribution across the Middle Atlas and Rif regions. The present study aims to determine the phytochemical profile and its biological activity of Moroccan R. chalepensis by conducting a comprehensive organ-specific analysis. Methanolic extracts from the plant’s flowers, leaves, and stems were evaluated for their total phenolic content (TPC) and total flavonoid content (TFC) using the Folin-Ciocalteu and aluminum chloride colorimetric methods. Antioxidant potential was assessed through DPPH radical scavenging and ferric reducing antioxidant power (FRAP) assays, while antibacterial activity was tested against Staphylococcus aureus ATCC 29213, Pseudomonas aeruginosa ATCC 9721, and Streptococcus sp. CCMM/B24 using disc diffusion and minimum inhibitory concentration (MIC) protocols. Among all plant parts, floral extracts exhibited the highest TPC (160 ± 2.38 mg GAE/g DW) and TFC (30.1 ± 1.32 mg QE/g DW), alongside superior antioxidant activity (DPPH IC₅₀ = 23.1 ± 1.15 μg/mL). Notably, Gram-positive strains showed greater susceptibility to the extracts, with S. aureus being the most affected. These results underscore the therapeutic potential of Ruta chalepensis, particularly from Moroccan chemotypes, as a valuable source of natural antioxidants and antimicrobial agents. They also reinforce the importance of valorizing Morocco’s endemic medicinal flora in addressing contemporary biomedical challenges.

Comprehensive Phytopharmacological Profiling of Polygonum aviculare L.: Antioxidant, Anti-Inflammatory, and α-Glucosidase Inhibitory Activities of Bioactive Constituents with Molecular Docking and In Silico Drug-Likeness Analysis

This study investigated the extracts and bioactive constituents of the aerial parts of Polygonum aviculare L., a well-known traditional medicine for inflammation and diuresis, through bioactivity-guided investigation and molecular docking analysis. Solvent extracts demonstrated significant antioxidant, anti-α-glucosidase, and anti-inflammatory activities, supporting their value for further pharmacological investigation. Among the isolated compounds, gallic acid (1), quercetin (3), myricetin (4), avicularin (6), and isorhamnetin (7) exhibited excellent antioxidant activity in the DPPH assay (SC50 ≤ 6.50 μM) and were stronger than the positive control BHT (SC50 = 36.99 μM). Kaempferol (9) (IC50 of 4.50 µM) demonstrated the highest α-glucosidase inhibition, surpassing that of the clinically used acarbose (IC50 = 519.7 µM). Additionally, gallic acid and quercetin demonstrated significantly stronger NO inhibition than apigenin, while kaempferol showed comparable activity (IC50 = 15.06 ± 1.50 μM vs. 16.08 ± 1.86 μM for apigenin). Molecular docking analyses supported favorable interactions between the active compounds and α-glucosidase and inducible nitric oxide synthase (iNOS). Kaempferol reduced the expression of iNOS and COX-2 in LPS-stimulated RAW 264.7 macrophages and was associated with increased KLF4 and Arg-1 expression and decreased phosphorylation of p38 MAPK and IκBα, suggesting a potential role in promoting an anti-inflammatory M2-like macrophage phenotype. Structure–activity relationship analysis indicated that flavonoid aglycones and specific hydroxylation patterns contribute to the observed biological activities. Collectively, these findings identify quercetin and kaempferol as highly active constituents of P. aviculare and support their potential for further pharmacological investigation.