Search Results (43)

Heracleum persicum Desf. ex Fischer, a species of the Apiaceae family, is endemic to Iran and has been historically utilized as a spice, condiment, and medicinal plant. The plant produces seeds that represent a potential new source of vegetable oil. In this study, the oil from these seeds was extracted using a solvent, and its physical, chemical, and nutritional properties were investigated. The oil extraction yield was determined to be 12.62%. Oleic acid (61.11%) and linoleic acid (25.84%) were identified as the predominant fatty acids in the extracted oil. Among its phytosterols, beta-sitosterol (65.6%) and stigmasterol (14.0%) were the most abundant. Furthermore, this oil exclusively contained alpha-tocopherol at a relatively high concentration (1610.9 ppm). The chlorophyll and carotenoid contents of the extracted oil were 28.34 mg/kg and 4.95 mg/kg, respectively. Regarding its nutritional indices, the atherogenic index, thrombogenic index, and hypocholesterolemic to hypercholesterolemic ratio were 0.13, 0.24, and 9.77, respectively. In conclusion, considering its unique oil composition and qualitative characteristics, this oil holds promise as a novel source of vegetable oil and a valuable byproduct of Heracleum persicum. Full article

As a medicinal and edible homologous substance, ginkgo seeds’ historical application in headache management, documented from Diannan Materia Medica to contemporary clinical practice, is based on empirical evidence. This study employed network pharmacology and molecular docking to explore the anti-migraine mechanisms of ginkgo seeds. In total, 10 related signal pathways (cancer pathway, lipid and atherosclerosis, Phosphatidylinositol 3-Kinase–Protein Kinase B (PI3K-AKT) signaling pathway, etc.) and 10 hub genes were identified through Gene Ontology (GO) functional annotation, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment, and in the inprotein–protein interaction (PPI) network. Molecular docking results demonstrated that formononetin, stigmasterol, and beta-sitosterol in ginkgo seeds can interact with 10 core targets (average binding energy ≤ −3.17 kcal/mol). This study analyzed the related pathways and targets of ginkgo seeds in the treatment of migraines, as well as the docking test of small-molecule ligands and target protein receptors, which provides a reference with which to find and explore effective preventive health foods for migraines. Full article

Beta-sitosterol (BS), a naturally occurring phytosterol abundant in plants, has been reported to exhibit diverse biological activities, including immunomodulatory and antiviral effects. Classical swine fever virus (CSFV), a member of the Pestivirus genus, remains a persistent threat to the swine industry worldwide, causing considerable economic damage. Our research found that BS significantly enhances the replication of both the CSFV-Shimen strain and the attenuated C-strain vaccine virus in PK-15 cells. Additionally, transcriptomic profiling (RNA-Seq) identified 175 differentially expressed genes (DEGs) following BS exposure, comprising 53 upregulated and 122 downregulated genes. Further results demonstrated that treatment with β-sitosterol suppressed IκBα expression, thereby activating the NF-κB pathway, and that knockdown of endogenous IκBα significantly promoted CSFV replication. These findings contribute to a deeper understanding of how BS influences the CSFV infection process, suggesting its role as a host lipid-associated factor facilitating viral propagation. Full article

The growing demand for natural anti-aging ingredients necessitates scientific validation of traditional cosmetic materials. Multani Mitti (MM), a clay widely used in South Asian traditional skincare, lacks comprehensive chemical and biological characterization. This study employed a multi-analytical approach to investigate MM’s anti-aging potential through chemical analysis, enzyme inhibition studies, and in silico evaluations. Five commercial MM samples were pooled and analyzed using instrumental neutron activation analysis (INAA) and Gas Chromatography–Mass Spectrometry (GC-MS). INAA revealed silicon as the predominant inorganic constituent (169.3742 mg/g), while GC-MS identified 13 bioactive compounds, with Beta-sitosterol (15.45% area), Docosanamide (12.36% area), and Cyclohexasiloxane (9.80% area) being the most abundant. MM demonstrated significant enzyme inhibition against key aging-related enzymes, with notably strong effects on hyaluronidase (IC₅₀: 18 μg/mL) and tyrosinase (IC₅₀: 27 μg/mL), outperforming standard inhibitors. The antioxidant activity showed moderate effectiveness (IC₅₀: 31.938 μg/mL) compared to ascorbic acid (IC₅₀: 8.5 μg/mL). Molecular docking studies of identified compounds against hyaluronidase (PDB: 1FCV) and tyrosinase (PDB: 3NQ1) revealed Beta-sitosterol and Benzyl-piperazine-carboxamide as the most promising candidates, showing strong binding affinities (−8.5 and −8.6 kcal/mol, respectively) and favorable ADMET profiles. This comprehensive characterization provides the first scientific evidence supporting MM’s traditional use in skincare and identifies specific compounds that may contribute to its anti-aging properties, warranting further investigation for modern cosmetic applications. Full article

The application of micronization to previously freeze-dried red potatoes significantly increased their polyphenol content and antioxidant potential. As a result, they became a valuable additive for enriching gluten-free snacks with bioactive compounds. The aim of this study was to assess the health-promoting potential as well as the content of polyphenols, phytosterols, and vitamin E in gluten-free extrudates, also referred to as gluten-free snacks, with the addition of 10% to 40% freeze-dried and micronized red potatoes. Additionally, the study examined color parameters and nutritional composition, including dietary fiber content. It was found that the extrudates obtained from micronized and freeze-dried red potatoes were characterized by high nutritional value but, most importantly, a strong health-promoting potential due to their exceptionally high content of phenolic acids and anthocyanins, which contributed to their remarkable antioxidant activity. Snacks enriched with freeze-dried and micronized red potatoes contain significantly higher levels of protein (3- to 14-fold increase), ash (4.5- to 22.5-fold increase), and soluble dietary fiber fraction (10- to 26-fold increase) compared to the control sample. Moreover, these snacks exhibited very high concentrations of chlorogenic, cryptochlorogenic, and neochlorogenic acids, as well as elevated levels of pelargonidin and peonidin glycosides—polyphenolic compounds that were not detected in the control sample. These snacks contained substantial amounts of tocopherols and phytosterols, such as stigmasterol and beta-sitosterol (3- to 10-fold increase compared to the control). The study conclusively demonstrated that the 40% addition of freeze-dried and micronized red potatoes to gluten-free extrudates ensures the development of an innovative product with excellent health benefits and strong antioxidant activity. Full article

The Allium plant genus has many species, among which Allium iranicum (AI) from the family Amaryllidaceae is endemic to Iran. There is no report on the oil composition of AI seeds. In this study, oil from AI seeds was extracted by a solvent and its composition and quality characteristics were determined. The yield of seed oil was 14.3%. The most predominant unsaturated fatty acid was linoleic acid (64.4%), followed by oleic acid (16.9%), and the main saturated fatty acids were palmitic acid (13.6%) followed by stearic acid (2.8%). Beta-sitosterol (50.7%), campestrol (15.7%), and delta5-avenasterol (8.2%) were the most dominant phytosterols in extracted AI oil. The most dominant tocopherol was α-tocopherol (1188 ppm) along with low amounts of δ- and γ-tocopherols. The obtained results showed that the oil extracted from seeds of AI can be a valuable by-product of this plant with suitable nutritional indices and can be used as a new source of vegetable oil. Further research is required to reveal its potential pharmaceutical and food applications. Full article

Siraitia grosvenorii (SG), a traditional Chinese medicinal herb, possesses immunomodulatory and osteoinductive properties, yet its pharmacological mechanisms in bone defect repair remain largely unexplored. This study investigates the therapeutic potential of SG through a combination of network pharmacology and experimental approaches. Active compounds were identified using the Traditional Chinese Medicine Systems Pharmacology (TCMSP) Platform, and protein interaction targets were predicted. Molecular docking and dynamics simulations assessed interactions between SG compounds and critical targets. In vitro, RAW 264.7 macrophages treated with SG-conditioned medium exhibited enhanced M2 polarization and reduced inflammation, promoting osteogenic differentiation of co-cultured MC3T3-E1 cells as evidenced by increased alkaline phosphatase activity. In vivo, scaffolds loaded with low-dose or high-dose SG (LSG/HSG) significantly improved bone regeneration in rat calvarial defects, with HSG achieving near-complete repair and mature trabeculae at 8 weeks, alongside decreased CD86 and TNF-α levels and increased IL-10 expression. Network pharmacology identified 33 shared targets related to bone regeneration and macrophage polarization, with kaempferol and beta-sitosterol demonstrating strong binding affinities to targets such as TNF, PTGS2, and CASP3. These findings highlight the potential of SG in enhancing bone defect repair and its implications for regenerative medicine. Full article

Background/Objectives: The present study investigated the anticancer potential of Asparagus racemosus Willd. against triple-negative breast cancer (TNBC) using a combined in silico and in vitro approach. Methods: Network pharmacology identified 115 potential targets shared between A. racemosus phytochemicals and TNBC, highlighting key cancer-related pathways. Molecular docking predicted strong binding affinities between specific phytochemicals (beta-sitosterol, quercetin, and others) and crucial TNBC targets, including AKT1 and ERBB2. Results: Molecular dynamics simulations validated these interactions, demonstrating stable complex formation. In vitro, A. racemosus crude extracts exhibited potent anticancer activity against MDA-MB-231 TNBC cells, showing a dose-dependent reduction in viability (IC₅₀ = 90.44 μg/mL), induction of G1 phase cell cycle arrest, and significant early apoptosis. Conclusions: These integrated findings provide compelling evidence for the anticancer potential of A. racemosus against TNBC, suggesting its promise for further development as a therapeutic strategy. Full article

Mitragyna speciosa Korth. Havil (MS) has a traditional use in relieving pain, managing hypertension, treating cough, and diarrhea, and as a morphine substitute in addiction recovery. Its potential in addressing Alzheimer’s disease (AD), a neurodegenerative condition with no effective treatments, is under investigation. This study aims to explore MS mechanisms in treating AD through network pharmacology, molecular docking, and in vitro studies. Using network pharmacology, we identified 19 MS components that may affect 60 AD-related targets. The compound–target network highlighted significant interactions among 60 nodes and 470 edges, with an average node degree of 15.7. The KEGG enrichment analysis revealed Alzheimer’s disease (hsa05010) as a relevant pathway. We connected 20 targets to tau and β-amyloid proteins through gene expression data from the AlzData database. Docking studies demonstrated high binding affinities of MS compounds like acetylursolic acid, beta-sitosterol, isomitraphylline, and speciophylline to AD-related proteins, such as AKT1, GSK3B, NFκB1, and BACE1. In vitro studies showed that ethanolic (EE), distilled water (DWE), and pressurized hot water (PHWE) extracts of MS-treated 100 μM H₂O₂-induced SH-SY5Y cells significantly reduced oxidative damage. This research underscores the multi-component, multi-target, and multi-pathway effects of MS on AD, providing insights for future research and potential clinical applications. Full article

Obesity, characterized by the excessive accumulation of fat, is a prevalent metabolic disorder that poses a significant global health concern. Triphala, an herbal combination consisting of Phyllanthus emblica Linn, Terminalia chebula Retz, and Terminalia bellerica (Gaertn) Roxb, has emerged as a potential solution for addressing concerns related to obesity. This study aimed to investigate the network pharmacology and molecular docking of Triphala to identify its bioactive ingredients and their interactions with pathways associated with obesity. The bioactive compounds present in Triphala and genes linked to obesity were identified, followed by an analysis of the protein-protein interaction networks. Enrichment analysis, including Gene Ontology analysis and Kyoto Encyclopedia of Genes and Genomes pathway analysis, was conducted. Prominent genes and compounds were selected for further investigation through molecular docking studies. The study revealed a close correlation between obesity and the AKT1 and PPARG genes. The observed binding energy between beta-sitosterol, 7-dehydrosigmasterol, peraksine, α-amyrin, luteolin, quercetin, kaempferol, ellagic acid, and phyllanthin with AKT1 and PPARG indicated a favorable binding affinity. In conclusion, nine compounds showed promise in regulating these genes for obesity prevention and management. Further research is required to validate their specific effects. Full article

Broccoli is a rich source of diverse bioactive compounds, but how their contents are influenced by different growing seasons and variations in broccoli head sizes remains elusive. To address this question, we quantified sixteen known bioactive compounds and seven minerals in broccoli with varying head sizes obtained in two different growing seasons. Our results suggest that the contents of vitamin C, total phenols, carotenoids, and glucoraphanin were significantly higher in samples from the summer–autumn season, showing increases of 157.46%, 34.74%, 51.80%, and 17.78%, respectively, compared with those from the winter–spring season. Moreover, chlorogenic acid is a phenolic compound with relatively high contents among the six detected, while beta-sitosterol is the sterol with relatively high contents. Further, principal component analysis was conducted to rank the comprehensive scores of the profiles of phenolic compounds, phytosterols, and minerals, demonstrating that the broccoli samples grown during the summer–autumn season achieved the highest composite scores. Our results indicate that broccoli heads from the summer–autumn season are richer in a combination of bioactive compounds and minerals than those from the winter–spring season based on the composite score. This study extends our understanding of the nutrition profiles in broccoli and also lays the foundation for breeding broccoli varieties with improved nutrition quality. Full article

Background: The hunt for naturally occurring antiviral compounds to combat viral infection was expedited when COVID-19 and Ebola spread rapidly. Phytochemicals from Nyctanthes arbor-tristis Linn were evaluated as significant inhibitors of these viruses. Methods: Computational tools and techniques were used to assess the binding pattern of phytochemicals from Nyctanthes arbor-tristis Linn to Ebola virus VP35, SARS-CoV-2 protease, Nipah virus glycoprotein, and chikungunya virus. Results: Virtual screening and AutoDock analysis revealed that arborside-C, beta amyrin, and beta-sitosterol exhibited a substantial binding affinity for specific viral targets. The arborside-C and beta-sitosterol molecules were shown to have binding energies of −8.65 and −9.11 kcal/mol, respectively, when interacting with the major protease. Simultaneously, the medication remdesivir exhibited a control value of −6.18 kcal/mol. The measured affinity of phytochemicals for the other investigated targets was −7.52 for beta-amyrin against Ebola and −6.33 kcal/mol for nicotiflorin against Nipah virus targets. Additional molecular dynamics simulation (MDS) conducted on the molecules with significant antiviral potential, specifically the beta-amyrin-VP35 complex showing a stable RMSD pattern, yielded encouraging outcomes. Conclusions: Arborside-C, beta-sitosterol, beta-amyrin, and nicotiflorin could be established as excellent natural antiviral compounds derived from Nyctanthes arbor-tristis Linn. The virus-suppressing phytochemicals in this plant make it a compelling target for both in vitro and in vivo research in the future. Full article

Tylophora indica (Burm. f.) Merrill is an endangered medicinal plant that possesses various active agents, such as tylophorinine, kaempferol, quercetin, α-amyrin and beta-sitosterol, with multiple medicinal benefits. α-amyrin, a triterpenoid, is widely known for its antimicrobial, anti-inflammatory, gastroprotective and hepatoprotective properties. In this study, we investigated the metabolite profiling of tissues and the effects of cadmium chloride and chitosan on in vitro accumulation of alkaloids in T. indica. First, the callus was induced from the leaf in 2,4-D-, NAA- and/or BAP-fortified MS medium. Subsequent shoot formation through organogenesis and in vitro roots was later induced. Gas chromatography–mass spectrometry (GC–MS)-based phytochemical profiling of methanolic extracts of in vivo and in vitro regenerated plants was conducted, revealing the presence of the important phytocompounds α-amyrin, lupeol, beta-sitosterol, septicine, tocopherol and several others. Different in vitro grown tissues, like callus, leaf and root, were elicited with cadmium chloride (0.1–0.4 mg L⁻¹) and chitosan (1–50 mg L⁻¹) to evaluate the effect of elicitation on α-amyrin accumulation, measured with high-performance thin layer chromatography (HPTLC). CdCl₂ and chitosan showed improved sugar (17.24 and 15.04 mg g⁻¹ FW, respectively), protein (10.76 and 9.99 mg g⁻¹ FW, respectively) and proline (7.46 and 7.12 mg g⁻¹ FW), especially at T3 (0.3 and 25 mg L⁻¹), in the leaf as compared to those of the control and other tissues. The antioxidant enzyme activities were also evaluated under an elicitated stress situation, wherein catalase (CAT), superoxide dismutase (SOD) and ascorbate peroxidase (APX) displayed the highest activities in the leaf at T4 of both of the two elicitors. The α-amyrin yield was quantified with HPTLC in all tested tissues (leaf, callus and root) and had an Rf = 0.62 at 510 nm wavelength. Among all the concentrations tested, the T3 treatment (0.3 mg L⁻¹ of cadmium chloride and 25 mg L⁻¹ of chitosan) had the best influence on accumulation, irrespective of the tissues, with the maximum being in the leaf (2.72 and 2.64 μg g⁻¹ DW, respectively), followed by the callus and root. Therefore, these results suggest future opportunities of elicitors in scaling up the production of important secondary metabolites to meet the requirements of the pharmaceutical industry. Full article

It has been reported that Mori Folium (MF) and Eucommiae Cortex (EC) exhibit pharmacological effects in the treatment of immunosuppression. However, the mechanism of MF and EC against immunosuppression remains unclear. This study aims to explore the mechanism of action of MF and EC for the treatment of immunosuppression through network pharmacology, molecular docking, molecular dynamics simulations and animal experiments. As a result, 11 critical components, 9 hub targets, and related signaling pathways in the treatment of immunosuppression were obtained based on network pharmacology. The molecular docking suggested that 11 critical components exhibited great binding affinity to 9 hub targets of immunosuppression. The molecular dynamics simulations results showed that (-)-tabernemontanine-AR, beta-sitosterol-AR and Dehydrodieugenol-HSP90AA1 complexes are stably bound. Additionally, in the animal experiments, the treated group results compared to the control group suggest that MF and EC have a significant effect on the treatment of immunosuppression. Therefore, MF and EC treatment for immunosuppression may take effects in a multi-component, multi-target, and multi-pathway manner. The results herein may provide novel insights into the treatment of immunosuppression in humans. Full article

Parkinson’s-disease (PD) is an incurable, age-related neurodegenerative disease, and its global prevalence of disability and death has increased exponentially. Although motor symptoms are the characteristic manifestations of PD, the clinical spectrum also contains a wide variety of non-motor symptoms, which are the main cause of disability and determinants of the decrease in a patient’s quality of life. Noteworthy in this regard is the stress on the cardiac system that is often observed in the course of PD; however, its effects have not yet been adequately researched. Here, an untargeted metabolomics approach was used to assess changes in cardiac metabolism in the 6-hydroxydopamine model of PD. Beta-sitosterol, campesterol, cholesterol, monoacylglycerol, α-tocopherol, stearic acid, beta-glycerophosphoric acid, o-phosphoethanolamine, myo-inositol-1-phosphate, alanine, valine and allothreonine are the metabolites that significantly discriminate parkinsonian rats from sham counterparts. Upon analysis of the metabolic pathways with the aim of uncovering the main biological pathways involved in concentration patterns of cardiac metabolites, the biosynthesis of both phosphatidylethanolamine and phosphatidylcholine, the glucose-alanine cycle, glutathione metabolism and plasmalogen synthesis most adequately differentiated sham and parkinsonian rats. Our results reveal that both lipid and energy metabolism are particularly involved in changes in cardiac metabolism in PD. These results provide insight into cardiac metabolic signatures in PD and indicate potential targets for further investigation. Full article