Organic Chemistry, Natural Products, UHPLC-MS and GC-MS
232
Scopus Publications
Scopus Publications
Metabolomic Profiling and Bioactivity Assessment of Moroccan Camel Urine: Antioxidant Activity and Preliminary Phage-Based Screening Amina Ressmi, Abouddihaj Barguigua, Habiba Raqraq, Asmaa Dihmane, Rafik Aniba, et al. Chemistry and Biodiversity, 2026 Dromedary urinotherapy is a longstanding traditional practice in regions where camels are commonly reared, particularly for the management of metabolic disorders, cancer, and viral infections. Despite its ethnomedicinal relevance, the bioactivity of camel urine (CU) has been reported previously, though often without detailed characterization of the biological source. This study provides an exploratory, biologically contextualized evaluation of Moroccan CU using a set of well‐documented samples collected under defined physiological and ecological conditions. Gas chromatography–mass spectrometry (GC–MS) analysis revealed a diverse metabolite composition, with major constituents including benzoic acid (61.48%), lactic acid (17.79%), p ‐cresol (19.84%), p ‐cresol glucuronide (14.94%), hippuric acid (11.97%), aminomalonic acid (7.48%), and phenylacetic acid (4.53%). Antioxidant assays demonstrated marked variability among samples, with higher activity observed in camels consuming desert vegetation rich in bioactive phytochemicals, suggesting an association with differences in diet and environmental conditions. Phage inhibition testing showed a significant reduction in bacteriophage titers at 200 mg/mL in most samples, except GFS. Exploratory analysis suggested a possible association between p ‐cresol glucuronide abundance and phage inhibition performance. These findings provide exploratory biochemical insight into Moroccan CU and suggest that specific metabolites and dietary factors may contribute to variation in its measured bioactivities, warranting further investigation.
Ionic Liquids and Deep Eutectic Solvents for Polyphenol Extraction: Opportunities and Limitations Gonçalo P. Rosa, Maria Carmo Barreto, Ana M. L. Seca, Diana C. G. A. Pinto International Journal of Molecular Sciences, 2026 Polyphenols are structurally diverse plant secondary metabolites with broad biological activities and growing applications across the food, health, and materials sectors. Conventional extraction based on organic solvents (e.g., methanol, ethanol) is often energy-intensive, inefficient, and environmentally burdensome. Ionic liquids (ILs) and deep eutectic solvents (DESs) have therefore emerged as greener alternatives for polyphenol extraction. This review evaluates recent advances in solvent design, extraction performance, and process sustainability. Imidazolium-based ILs frequently achieve high yields and selectivity, particularly when coupled with ultrasound or microwave-assisted extraction, but high cost, synthetic complexity, viscosity-related constraints, and potential toxicity hinder scaleup. By contrast, DESs—especially those derived from choline chloride or lactic acid—are easier to prepare, less costly, and more compatible with industrial implementation, with efficiency enhanced by tailoring hydrogen bond networks, water content, and process intensification. Critical downstream challenges persist for both solvent classes, notably in extract purification and solvent recovery due to low volatility; approaches such as resin adsorption, antisolvent precipitation, and direct formulation have been explored. Overall, ILs and DESs represent compelling alternatives to conventional solvents, and future progress will depend on integrated extraction–recovery strategies, systematic solvent selection, and validation under scalable, sustainable processing conditions.
Chrysopogon zizanioides (Vetiver) Essential Oil from Qatar Targets AKT1 and STAT3 in Colorectal and Lung Cancer: GC-MS Profiling, In Vitro Antiproliferative Activity, and In Silico Analyses Mai M. Karousa, Haritha Kalath, Layal Karam, Muhammad Suleman, Maha M. Ayoub, et al. Plants, 2026 Background: Chrysopogon zizanioides (L.) Roberty (vetiver) is a perennial medicinal grass with deep aromatic roots traditionally used for several ailments. Its root essential oil (CZEO) is rich in phytochemicals with documented antimicrobial, anti-inflammatory, and antioxidant activities. Although its anticancer potential remains underexplored, the complex phytochemical profile of CZEO positions it as a promising multi-target therapy, particularly for colorectal (CRC) and lung cancers where resistance and pathway redundancy often limit conventional treatments. Therefore, this study aimed to investigate the phytochemical composition and antiproliferative activity of CZEO from Qatar against colorectal (HCT-116) and lung (A549) cancer cells and to elucidate its molecular targets and mechanisms of action in CRC and lung cancer using network pharmacology and in silico approaches. Methods: CZEO was extracted by steam distillation and characterized using GC–MS. In vitro proliferation assays with HCT-116 colorectal and A549 lung cancer cells were conducted using the Alamar Blue assay. The ten most abundant phytochemicals identified by GC–MS were assessed for drug-likeness and ADMET properties and further analyzed through network pharmacology, molecular docking, and molecular dynamics (MD) simulations to elucidate the molecular targets and mechanisms underlying CZEO’s anticancer activity. Results: GC-MS profiling identified 40 compounds, predominantly sesquiterpenoids (93%), including khusimol, β-eudesmol, α-vetivone, and rosifoliol. CZEO inhibited cancer cell viability in a dose-dependent manner, with IC50 values of 62.95 ± 2.19 µg/mL for HCT-116 and 167.82 ± 6.51 µg/mL for A549 cells, demonstrating greater potency against colorectal cancer. CZEO did not affect the growth of normal human neonatal fibroblasts (HDFn), suggesting potential selectivity for cancerous cells. ADMET predictions indicated favorable pharmacokinetics and low toxicity of CZEO’s top 10 abundant compounds (TACs). Network pharmacology revealed 373 and 394 overlapping gene targets between TACs and lung and colorectal cancer, respectively. The overlapping genes were used to construct a protein–protein interaction (PPI) network to identify hub genes. STAT3 and AKT1 consistently emerged as common top-scoring hub genes in both cancers. Molecular docking of TACs showed strong binding affinities of rosifoliol and α-vetivone to AKT1 (−6.20 and −5.93 kcal/mol, respectively) and STAT3 (−5.19 and −5.09 kcal/mol, respectively), surpassing reference inhibitors. MD simulations confirmed stable ligand–protein interactions and structural stabilization, particularly with α-vetivone. Conclusions: CZEO from Qatar exhibits potent antiproliferative activity against colorectal and lung cancer cells, supported by a sesquiterpenoid-rich phytochemical profile. Integrative computational analyses highlight AKT1 and STAT3 as key molecular targets, with rosifoliol and α-vetivone emerging as promising lead compounds. These findings support CZEO as a natural, multi-target anticancer agent, warranting further mechanistic and in vitro and in vivo validation.
Nitrones: Comprehensive Review on Synthesis and Applications Ricardo A. L. S. Santos, Artur M. S. Silva, Diana C. G. A. Pinto Molecules, 2026 Nitrones are a significant class of compounds highly useful in organic synthesis; in particular, they are key intermediates for the synthesis of new biologically active nitrogen compounds. The first part of this review aims to provide a structured and concise overview of nitrones, summarizing their synthetic methodologies and highlighting the environmentally friendly approaches. Their fundamental transformations and a thorough explanation of their reactivities are addressed, either in rearrangements to similar compounds or as fragments/intermediates for more complex molecules. Lastly, physicochemical properties, therapeutic potential, and industrial applications are also addressed. This review gives an update on the scientific discoveries in the field of nitrones, focusing on organizing the existing information and highlighting subtle details to enhance chemical comprehension.
CHEMICAL COMPOSITION, ANTI-INFLAMMATORY AND ANALGESIC ACTIVITIES OF INULA VISCOSA (L.) AITON AQUEOUS EXTRACT Ammar Haouat, Habiba Rechek, Mohamed T.T. Derouiche, Adel Krid, Kaouther Hamaidia, et al. Bulletin of the Chemical Society of Ethiopia, 2026 In the present study, the phenolic content of Inula viscosa, a medicinal plant traditionally used to treat inflammation in Algeria, was determined using ultra-high-performance liquid chromatography coupled with a diode array detector and an electrospray mass spectrometer (UHPLC-DAD-ESI-MS2). The anti-inflammatory activity was evaluated in vitro using a nitric oxide scavenging assay and in vivo using an experimental model of carrageenan-induced acute inflammation. A tail pressure test was used to assess the analgesic activity. Additionally, an in-silico study was conducted to investigate further the interaction mechanisms between 1,5-O-dicaffeoylquinic acid (1,5-O-CQA), the main compound identified, and cyclooxygenases 1 and 2, two enzymes linked to inflammation. The results showed that the aqueous extract was rich in caffeoyl acid derivatives, mainly caffeoyl hexaric acids, described for the first time in this species. The biological activity assays demonstrated that I. viscosa exhibited strong anti-inflammatory and analgesic activities compared to ascorbic acid, a powerful antioxidant that can reduce inflammation by neutralizing free radicals. The main compound identified in the I. viscosa extract showed high affinity for the binding sites of cyclooxygenases 1 and 2 in the molecular docking study. Overall, the findings of this study further support the traditional use of I. viscosa as a remedy for inflammatory diseases.KEY WORDS: Analgesic activity, Anti-inflammatory activity, Inula viscosa, Molecular dockingBull. Chem. Soc. Ethiop. 2026, 40(2), 369-382 DOI: https://dx.doi.org/10.4314/bcse.v40i2.8
Phytochemical Profile of Convolvulus cantabrica Extracts and Their Biological Activity Khaled Ben Elwalid Mahdadi, Zina Allaoua, Mohamed Sabri Bensaad, Fatima Belahssini, Chawki Bensouici, et al. Molecules, 2026 The present work provides a detailed study of Convolvulus cantabrica L., a plant belonging to the family Convolvulaceae and the genus Convolvulus. The selection of this plant was based on the long-standing ethnobotanical relevance of its genus, which was attributed to the richness of its species in phenolic and flavonoids compounds. Moreover, this species as remained unexplored to date. Our investigation includes both chemical and biological aspects. To assess the chemical composition of the hydroalcoholic extract of the plant, High-Performance Liquid Chromatography (HPLC) analysis was performed. Rosmarinic Acid (161.9 ppm) and Chlorogenic Acid (153.8 ppm) had the highest concentrations. Gas Chromatography–Mass Spectrometry (GC-MS) analysis demonstrated the presence of Fatty Acids and Esters (70.81%), sesquiterpene and diterpenes (19.51%) and fatty alcohols (6.02%). In addition, the ethyl acetate extract exhibited the highest phenolic contents (606.42 µg/mL) and flavonoid contents (363.75 µg/mL). The tested extracts, especially the ethyl acetate and butanol extracts, exhibited strong antioxidant capacity in DPPH (IC50: 13.60 ± 1.30 µg/mL for ethyl acetate extract and 17.69 ± 1.17 µg/mL for butanol extract), ABTS (IC50: 7.26 ± 0.01 µg/mL for ethyl acetate extract and 6.90 ± 0.18 µg/mL for butanol extract) and FRP (IC50: 14.89 ± 0.90 µg/mL for ethyl acetate extract and 23.14 ± 0.60 µg/mL for butanol extract) assays compared with extracts from other species of this genus. Moreover, the petroleum ether extract demonstrated anti-inflammatory activity (IC50: 419.30 ± 4.48 µg/mL). Regarding antibacterial activity, the plant extracts, especially the ethyl acetate, hydroalcoholic and petroleum ether extracts, inhibited the growth of Bacillus cereus. Overall, our data indicate that Convolvulus cantabrica L., is rich in secondary metabolites, particularly polyphenols, and exhibits significant biological activities, especially antioxidant properties. These results validate the traditional use of C. cantabrica and position it as a promising source of natural antioxidants with potential pharmaceutical and nutraceutical applications.
