Main Compounds Research Articles

Exploring the Potential Mechanisms of Zuo Gui Pill for the Treatment of Knee Osteoarthritis Based on Network Pharmacology and Molecular Docking Techniques.

Zuo Gui pill (ZGP) is a herbal compound formulation used to treat knee osteoarthritis (KOA), but its underlying mechanisms are still unclear. This study aimed to initially elucidate the molecular mechanisms of ZGP in treating KOA using network pharmacology and molecular docking techniques. We collected information on the drug compounds and targets from TCMSP, HERB, BATMANTCM, and UniProt databases, as well as the KOA-related targets from DisGeNET, GeneCards, OMIM, and GEO databases. Afterward, we obtained the hub targets of ZGP and KOA. The biological processes and major pathways of the hub targets were analyzed by GO and KEGG, and three networks were constructed to illustrate the mechanisms of ZGP for the treatment of KOA. Finally, molecular docking was carried out to verify the binding of the main compounds to the key targets. Through the network pharmacological analysis, we screened important compounds in ZGP, such as quercetin, kaempferol, wogonin, isorhamnetin, and 138 hub targets, including PTGS2, NOS3, AKT1, MAPK1, which are enriched in PI3K-Akt, MAPK, TNF, IL-17, HIF-1, and other signaling pathways. The molecular docking results showed that the main compounds and key targets have high affinity, which further demonstrated the molecular mechanisms and provided a basis for the clinical application of ZGP. This study illustrates the specific mechanisms of ZGP in the treatment of KOA using network pharmacology and molecular docking techniques, which lays the foundation for further research on its pharmacological mechanisms.

Efficacy of essential oil from Maranta arundinacea L. against immature stages of dengue, filariasis, and malaria vectors and four mosquito predators.

Efficacy of essential oil from Maranta arundinacea L. against immature stages of dengue, filariasis, and malaria vectors and four mosquito predators.

A comprehensive review of the nutritional, functional, and technological potential of prickly pear (Opuntia ficus-indica) in food processing

The exotic fruit Opunia ficus-indica, commonly known as prickly pear, is an underused raw material with potentially health-promoting properties. Recent research has revealed the presence of oleic acid and linoleic acid at levels that exceed 50% of the total fatty acids. A valuable amino acid profile was also found, with glutamic acid and arginine as the main compounds in the seed of the fruit. This good nutritional profile, complemented by high levels of vitamin C and abundant fiber content, make this fruit a suggestive biomaterial for industrial development purposes. Other functional compounds reported in prickly pear and with highly applicable uses are phenolic acids and betalain pigments (betacyanin and betaxanthin), which provide violet-red and yellow-orange colors to its peel and pulp, respectively. The presence of these bioactive compounds in prickly pear has led to the development of different novel food formulations with potential biological properties. However, there is still a huge margin for improving the design and production of foods using this fruit. Thus, the focus is its valorization as a highly nutritious fruit and on the use of processing of by-products as bioactive ingredients, moving toward a circular economy model.

Polyhexamethylene guanidine-phosphate enhances pro-coagulant activity of human erythrocytes and venous thrombosis in rats through phosphatidylserine externalization.

Polyhexamethylene guanidine-phosphate enhances pro-coagulant activity of human erythrocytes and venous thrombosis in rats through phosphatidylserine externalization.

The Naturally Bioactive Vicine Extracted from Faba Beans Is Responsible for the Transformation of Grass Carp (Ctenopharyngodon idella) into Crisp Grass Carp

While faba bean feeding improves grass carp muscle texture via reactive oxygen species (ROS), the main bioactive compound was unclear. In this study, vicine—a pro-oxidant glycoside—was isolated from faba beans using cation-exchange column chromatography and supplemented into the feed of grass carp at 0.6%. To assess the impact of vicine on muscle texture, the grass carp were fed for 150 days with three treatments: control group, faba bean group, and vicine group. The results showed that vicine improved muscle texture similarly to faba beans but caused fewer adverse effects on muscle, liver, and intestinal health. Vicine improved grass carp muscle texture in the following ways: (1) induced ROS overproduction, activating the Caspase apoptosis pathway and downregulating Pax-7 to promote satellite cell-mediated myofiber regeneration; (2) vicine-mediated intestinal microbiota alterations increased lipopolysaccharide (LPS) levels, indirectly elevating muscle ROS via the gut–muscle axis to further affect muscle structure. This study demonstrated that vicine improved muscle texture by activating ROS-dependent myofiber regeneration but also induced oxidative stress and gut microbiota perturbation. While vicine mitigated the severe toxicity of faba beans, its application requires careful evaluation of its toxicological properties to balance benefits and risks. This study offers new insights for enhancing the quality of aquatic animals.

Physicochemical Properties and Volatile Profile of Chito: A Traditional Dry-Cured Goat Meat Product

Two types of chito were evaluated: non-pressed (NP, immediate consumption) and pressed (P, for sale). The characteristics were analysed in samples of three years (2021–2023). The pH, water activity (aw), proximate composition, heme iron, sodium chloride (NaCl), water soluble nitrogen (WSN), color, metmyoglobin (MMb), texture, lipid oxidation (Thiobarbituric acid reactive substances, TBARS), and microbiological analysis were evaluated, while volatile compounds were identified in NP and P. The aw value showed a mean value of 0.70 in NP and P, values reported for typical commercial dried meat samples. However, P showed higher pH values (5.65–5.75), as well as a high level of fat (6.44–15.03%), NaCl (10.93–11.21%), lipid oxidation (3.88–6.32 mg MDA/kg meat), and hardness (223.67–574.01 N), with a browner color than NP, whereas microbial counts were similar between NP and P. Typical breakdown products derived from lipid oxidation were the main volatile compounds detected in chito, with aldehydes and alcohols being the most detected in P. The results suggest that some of the physicochemical characteristics, as well as the volatile profile, showed some differences between both types of chito, which suggests that there was a variation in the meat product associated with the making processes.

Elucidating anti-aging and antioxidant activity of Hydnocarpus anthelmintica on skin aging and cosmeceutical potentials: in silico and in vitro study.

Hydnocarpus anthelmintica (HA) has been traditionally used for treating leprosy and is known for its antioxidant and anti-inflammatory activities. The aim of this study was to investigate the active compounds and targets of HA extracts, involved in oxidative stress and skin aging. The active compounds and targets of HA extracts were identified using network pharmacology. The pathway study was conducted using the Kyoto Encyclopedia of Genes and Genomes (KEGG) database. HA semen was measured for its in-vitro antioxidant activity using 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay and anti-aging activities using collagenase, elastase, and tyrosinase assays. A total of 21 intersecting core targets were identified from 8 compounds, 51 action targets, and 1810 skin aging and oxidative stress-associated target genes. A compound-target network was constructed, and 3 compounds (luteolin, beta-carotene and genkwanin), and 4 hub genes (TP53, HSP90AA1, JUN, and MAPK1) were identified. The KEGG pathway study revealed that the compounds were correlated with PI3K-Akt, p53, HIF-1, and MAPK signaling. The results of in-vitro experiments showed the effect of HA extract on oxidative stress reduction and collagenase inhibition. We discovered two main active compounds, luteolin and β-carotene, that may be involved in p53 and MAPK signaling, and showed HA extract activity against oxidative stress and collagenase.

Recent Advances in Analytical Methods for Aconitine Alkaloid in Natural Products: A Systematic Review.

Aconitine, the main toxic and active compound in Aconitum species, is a key component of Traditional Chinese Medicine (TCM), valued for its anti-inflammatory, cardiotonic, and analgesic properties. However, its potent neurotoxicity and cardiotoxicity, potentially leading to fatal outcomes, necessitate careful evaluation and management. Accurately identifying aconitine in natural products is one of the hot issues of international concern regarding the safety of TCM. This review systematically evaluates the current scientific literature to assess advancements in analytical methodologies for identifying and quantifying aconitine. This review systematically evaluates literature from 2000 to 2025 regarding analytical methods for aconitine determination, utilizing databases such as PubMed, ScienceDirect, and Google Scholar. From 2237 identified articles, 90 were evaluated. This review highlights the advantages of LC-MS, DESI-MSI, and ambient MS techniques for identifying and quantifying aconitine, emphasizing their rapid analysis, minimal sample preparation, and cost-effectiveness. These advanced methods offer significant potential for reliable applications in various fields. DESI-MSI and DART-MS enable solvent-free, rapid analysis in native conditions, whereas oEESI-MS offers high throughput, precise quantification, and reduced solvent/sample use. The modified methods, H-oEESI-MS, allow direct analysis of Aconitum herbal materials without pretreatment, demonstrating high efficiency. This review identifies research gaps and future directions using advanced analytical methods for aconitine determination, aiming to enhance quality control, regulatory compliance, and product safety. The integration of artificial intelligence into aconitine detection and analysis in TCM presents transformative potential, promising enhanced accuracy, efficiency, and safety while stimulating innovation and guiding future research directions in analytical science.

Origanum syriacum Induces Apoptosis in Lung Cancer Cells by Altering the Ratio of Bax/Bcl2.

The lung cancer is the leading cause of death worldwide. Although methods such as surgery, chemotherapy, radiotherapy, and immunotherapy are used for treatment, these treatments are sometimes inadequate. In addition, the number of chemotherapeutic agents used is very limited, and it is very important to use new natural agents that can increase the effect of these methods used in treatment. The present study was designed to determine the suppression of proliferation and induction of apoptosis activities and phenolic content of Origanum syriacum methanol extract (OsME) on lung cancer cells (A549). For this purpose, the cell viability of A549 cells exposed to OsME was first determined. The morphological changes of the cell were observed by an inverted phase contrast microscope. Moreover, the percentage of apoptotic and necrotic cells was determined by FACS with AnnexinV/Propodium iodide staining. Additionally, proapoptotic Bax and antiapoptotic Bcl-2 mRNA levels were determined by Real-time PCR. Phenolic compounds of OsME were detected by LC-MS-MS. It was observed that the viability and proliferation of lung cancer cells decreased after the treatment of different concentrations of OsME. At a concentration of 200 mg/ml of OsME, most of the cell membrane structures were observed to disintegrate. Meanwhile, a 25 μg/ml concentration of OsME increased the Bax expression and percentage of late apoptotic cells. Vanillic acid and luteolin were identified as the main phenolic compounds of OsME. OsME exhibited antiproliferation activity on A549 cells and induced apoptosis at low doses.

Discovery of ganodecalone A, from Ganoderma calidophilum for the treatment of acute gastric ulcers by binding to ALOX5 via the MAPK/NF-κB/iNOS signaling.

Discovery of ganodecalone A, from Ganoderma calidophilum for the treatment of acute gastric ulcers by binding to ALOX5 via the MAPK/NF-κB/iNOS signaling.

Gardeniae Fructus extract terminates refractory status epilepticus with a wide time window through inhibiting neuroinflammation.

Gardeniae Fructus extract terminates refractory status epilepticus with a wide time window through inhibiting neuroinflammation.

Corrosion inhibition of aluminum in a diesel–biodiesel fuel blend using Thymus vulgaris

ABSTRACT The use of Thymus vulgaris extract as a green corrosion inhibitor for aluminum in a 20% biodiesel–80% diesel blend has been evaluated using gravimetric and electrochemical techniques, such as linear polarization resistance (LPR), electrochemical impedance spectroscopy (EIS), and electrochemical noise (EN). Additionally, Fourier transform infrared spectroscopy (FTIR) and Gas chromatography-mass spectrometry (GC-MS) analytical techniques were used to characterize both the biodiesel obtained from canola oil and the inhibitor. The results have shown that Thymus vulgaris decreases the Al corrosion rate in the blend due to its physical adsorption onto the metal, according to a Langmuir adsorption isotherm. Its corrosion efficiency increases with an increase in its concentration. The corrosion mechanism was under charge transfer control and was not affected by the addition of the inhibitor or time. The uniform corrosion rateand the localized type of corrosion decrease by the addition of the inhibitor. The main compounds responsible for the anticorrosion properties of Thymus vulgaris include carvacrol and thymol.

Identification and Functional Analysis of the Fragrance Terpene Synthase Gene PpTPS5 in Pyrethrum parthenium.

Pyrethrum parthenium, a perennial herb from the genus Pyrethrum within the Asteraceae family, is known for its potent fragrance and significant economic value. Nevertheless, the mechanisms involved in the synthesis and regulation of its floral fragrance compounds remain unclear. This study used gas chromatography-mass spectrometry (GC-MS) to analyze the volatile compounds in five parts of P. parthenium: tubular flowers, ligulate flowers, sepals, receptacles, and leaves. The results showed that the volatile aromatic components include terpenes such as camphor, α-pinene, camphene, d-limonene, β-caryophyllene, and β-farnesene, with camphor being the main volatile compound. Based on the transcriptome data of tubular flowers of P. parthenium, a terpene synthase gene, PpTPS5, was identified. The results of both invitro and invivo enzymatic assays demonstrated that PpTPS5 functions as a bifunctional terpene synthase gene. The qRT-PCR results showed that the gene expression pattern of PpTPS5 is correlated with the release pattern of the corresponding terpene aromatic compounds in P. parthenium. Subcellular localization and inhibitor experiments indicated that PpTPS5 functions in the cytosol. Additionally, dual-luciferase and electrophoretic mobility shift assay (EMSA) assays revealed that PpMYB9 can bind to the promoter of PpTPS5 to regulate the biosynthesis of terpenoids. In conclusion, the results of this study provide a theoretical basis for further exploration of the transcriptional regulation of terpene floral fragrance compounds in P. parthenium.

New Perspectives on Polysaccharides From Gracilaria and Gracilariopsis (Rhodophyta) and Their Potential Applications in Future Industries

ABSTRACTGracilaria and Gracilariopsis are abundantly available red seaweeds that have been used in traditional medicine and food for years and are rich in nutritional value. Polysaccharides are the main bioactive compounds found in the cell walls of red seaweeds, including Gracilaria and Gracilariopsis. Notably, Gracilaria and Gracilariopsis polysaccharides are sulfated and have been reported to possess various beneficial biological activities (antioxidant, anti‐urolithiatic, anti‐inflammatory, α‐glucosidase inhibitor, antiaging, wound healing, skin whitening, antibacterial, antiviral, antitumor, and antidiarrheal) and are widely used in food packaging, food formulation, cosmeceutical products, and drug development industries. Sulfated polysaccharides can be further purified from crude polysaccharide extracts of Gracilaria and Gracilariopsis. However, different species, extraction methods, and harvesting periods produce polysaccharides with varied quantities and qualitative characteristics. This review aims to provide comprehensive information by comparing reports of polysaccharides derived from 11 different species of Gracilaria and 2 species of Gracilariopsis to maximize their potential for future development and utilization in various industries.

Potentials and Challenges in Development of Vesicular Phospholipid Gel as a Novel Dermal Vehicle for Thymol

Background/Objectives: Thymol, one of the main compounds of thyme essential oil, has shown promising effects in treating various skin disorders owing to its anti-inflammatory, antimicrobial and antioxidative activities. Due to its limited solubility in water, thymol is commonly used in higher concentrations to achieve a suitable therapeutic effect, which can consequently lead to skin irritation. To overcome these limitations, we incorporated thymol into a vesicular phospholipid gel (VPG), a novel semisolid dermal vehicle consisting of highly concentrated dispersion of phospholipid vesicles (liposomes). Methods: Thymol was successfully loaded into two VPGs differing in bilayer fluidity, which were characterized for the physicochemical and rheological properties, storage stability, in vitro release, ex vivo skin permeability, in vitro compatibility with epidermal cells, wound healing potential, and antibacterial activity against skin-relevant bacterial strains. Results: High pressure homogenization method enabled preparation of VPG-liposomes of neutral surface charge in the size range 140–150 nm with polydispersity indexes below 0.5. Both types of VPGs exhibited viscoelastic solid-like structures appropriate for skin administration and ensured skin localization of thymol. Although both types of VPGs enabled prolonged release of thymol, the presence of cholesterol in the VPG increased the rigidity of the corresponding liposomes and further slowed down thymol release. Conclusions: Loading of thymol into VPGs significantly reduced its cytotoxicity toward human keratinocytes in vitro even at very high concentrations, compared to free thymol. Moreover, it facilitated in vitro wound healing activity, proving its potential as a vehicle for herbal-based medicines. However, the antibacterial activity of thymol against Staphylococcus aureus and methicillin-resistant S. aureus was hindered by VPGs, which represents a challenge in their development.

In Vitro Efficacy of Thymbra capitata (L.) Cav. Essential Oil Against Olive Phytopathogenic Fungi

In recent years, the excessive use of pesticides has raised environmental and health concerns, which has led to research into natural alternatives. Essential oils may represent a sustainable solution to this problem. In this study, essential oils from Thymbra capitata (L.) Cav., Eucalyptus globulus Labill, and Mentha piperita L. were analyzed by GC–MS and tested in vitro using the poisoned food technique against six olive pathogen fungi: Alternaria sp., Arthrinium marii, Colletotrichum acutatum, Fomitiporia mediterranea, Fusarium solani, and Verticillium dahliae. T. capitata essential oil (0.1 g/L) showed the highest antifungal activity when compared to E. globulus and M. piperita essential oils, which exhibited significantly lower efficacy against the tested olive phytopathogenic fungi. GC–MS analysis revealed that carvacrol is the main compound (76.1%) in T. capitata essential oil. A comparison of the inhibitory effect of T. capitata essential oil (0.1 g/L) and carvacrol (0.07 g/L) on selected fungal strains showed similar results, with carvacrol slightly more effective, although the differences were mostly statistically insignificant, except for C. acutatum. To the authors knowledge, this is the first study demonstrating the inhibitory effect of Thymbra capitata essential oil against A. marii and F. mediterranea. The results of this study represent a basis for the development of new biochemical biopesticides based on T. capitata essential oil as a useful tool for the contrast of some fungal olive tree diseases.

Total Flavones of Rhododendron Promotes Microglial Polarization to the M2 Subtype via Inhibiting the NOX2/ROS Pathway in Poststroke Mice with Depression-Like Behavior.

Aims: Total flavones of Rhododendron (TFR) extracted from the flowers of Rhododendron contains bioactive components. We investigated the main components of TFR and explored the role of TFR in microglial polarization in poststroke mice with depression-like behavior. Results: Using ultraperformance liquid chromatography-tandem mass spectrometry, we identified the main and potential active compounds in TFR as kaempferol, astragalin, epicatechin, myricetin, rutin, isoquercitrin, quercetin, and quercitrin. In addition, we demonstrated that TFR (60 and 120 mg/kg) efficiently ameliorated depression-like behavior in mice and promoted microglial polarization to the M2 subtype in the mouse hippocampal tissues. We also revealed that TFR (160 mg/L) facilitated microglial polarization to the M2 subtype following oxygen-glucose deprivation/reoxygenation (OGD/R) in vitro. RNA sequencing revealed the upregulation of NADPH oxidase 2 (NOX2) in the mouse brain tissues after cerebral ischemia/reperfusion (I/R) injury. TFR (120 mg/kg) inhibited NOX2 expression in the hippocampal tissues of cerebral I/R mice. In addition, TFR (160 mg/L) downregulated NOX2 expression in OGD/R-treated microglial cells and decreased reactive oxygen species (ROS) production. Notably, NOX2 inhibition promoted microglial polarization to the M2 subtype. Conclusion and Innovation: TFR promotes microglial polarization to the M2 subtype by inhibiting the NOX2/ROS pathway. Antioxid. Redox Signal. 00, 000-000.

Agave amica (Medik.) Thiede & Govaerts (Asparagaceae)—Insights into Its Valuable Phenolic Profile and In Vitro Antimicrobial, Antibiofilm, Antioxidative, and Antiproliferative Properties

Background/Objectives: Agave amica (Medik.) Thiede & Govaerts (Asparagaceae family) is an ornamental bulbous species, widely used for its fragrance but less studied as a medicinal species. This study is aimed at assessing the phenolic profile and selected biological properties of ethanolic extracts obtained from the aerial parts and bulbs of A. amica cultivated in Romania. Methods: The phenolic composition was characterized by spectrophotometric methods and LC/MS analysis. The antioxidant activity was evaluated by DPPH (2,2-diphenyl-1-picrylhydrazyl radical scavenging capacity) and FRAP (Ferric reducing antioxidant power) tests, while the in vitro antimicrobial capacity was investigated by the agar-well diffusion, the broth microdilution, and the antibiofilm assays. Cytotoxicity was tested on a colorectal adenocarcinoma cell line (DLD-1) by a CCK-8 assay. Results: Both ethanolic extracts showed important polyphenol content and caffeic acid as their main compound. Significantly higher amounts of total polyphenols (44.25 ± 1.08 mg/g), tannins (12.55 ± 0.34 mg/g), flavonoids (9.20 ± 0.19 mg/g), caffeic acid derivatives (19.95 ± 0.05 mg/g), and also antioxidant activity (IC50 = 0.82 ± 0.02 mg/mL, and 79.75 ± 1.80 µM TE/g, respectively) were found for the aerial parts extract compared to the bulbs one (p < 0.001). Notable anti-Candida albicans activity and moderate efficacy against Listeria monocytogenes and Staphylococcus aureus were displayed by both extracts against planktonic cells and biofilm. A dose-dependent cytotoxicity towards the colorectal adenocarcinoma cell line was recorded as well. Conclusions: This study brings novelty to the scientific literature by characterizing the phenolic profile and in vitro antimicrobial, antibiofilm, antioxidant, and antiproliferative activities of the ethanolic extracts obtained from A. amica, thus highlighting this herbal species’s medicinal potential.

Improving the bacillomycin L production in Bacillus amyloliquefaciens by atmospheric and room-temperature plasma combined with Box-Behnken design

Bacillomycin L, a cyclic lipopeptide derived from Bacillus amyloliquefaciens, has great potential for developing biochemical phytofungicides. In this study, a mutant M86 with high anti-Botrytis cinerea activity was obtained by atmospheric and room-temperature plasma (ARTP) mutagenesis from the original strain 1841, with bacillomycin L yield increasing from 244.22 to 415.89 mg/L. Mass spectrometry analysis identified that the main active compounds were C14-, C15-, and C16-bacillomycin L. Re-sequencing M86 showed that ARTP mutagenesis resulted in the effective mutations in sigma factors and ABC transporter proteins. Transcriptome sequencing further revealed the significant up-regulation of the bmyDABC and ytrBCC2DEF gene cluster involved in bacillomycin L synthesis and transporter, respectively, in M86. Bacillomycin L yield was further boosted to 676.47 mg/L after optimizing the fermentation medium by adjusting glycine, serine, and K2HPO4 concentrations. Bacillomycin L exhibited broad inhibitory activity against 17 fungi and nine bacterial species. This investigation provides a foundation for bacillomycin L production and application.

The essential oil chemical composition of Onobrychis kabylica (Bornm.) Širj. plants growing wild in Algeria

The genus Onobrychis Miller, belonging to the Fabaceae family, has wide distribution ranging from Europe to Mongolia and Himalaya, Arabian Peninsula, Ethiopia, with eastern Mediterranean area and western Asia considered as the centres of diversity. Plants from this genus have been used for centuries around the world, as forage for ruminant animals, both for grazing and as hay. The use of some species in traditional medicine has been also documented. Onobrychis kabylica (Bornm.) Širj. is a perennial species, that primarily thrives in temperate biomes endemic of Morocco, Algeria, and Tunisia. In this study, the chemical profile of the essential oil extracted from the aerial parts (Ok), never been previously analysed, was assessed using GC-MS. The Ok was found to be rich in oxygenated monoterpenes (44.4%) comprising of verbenone (14.0%) and borneol (10.4%) as main compounds.