Anticancer potential, antioxidant activity, chemical content, and enzyme inhibitory properties of Inula aschersoniana Janka, supported by an integrated network pharmacology study.

Integrated network pharmacology, molecular docking and metabolomics studies to reveal the therapeutic effects of Armillaria gallica extract for treating depression in CUMS-induced mice.

In the present study, essential oils extracted from the leafy stems of Ocimum basilicum (Family Lamiaceae) and Pulicaria undulata (Family Asteraceae) were investigated for their chemical profiles and biological activity including antioxidant, antiproliferative and enzyme inhibition activities. The chemical composition of essential oil was determined using Gas Chromatography-Mass Spectrometry. The antioxidant capacity was tested by scavenging of free radicals, reduction potential, chelating ability on ferrous ions and phosphomolybdenum assays. Cell viability was evaluated on human breast carcinoma (MCF7) and human colon adenocarcinoma (HT29 and HCT116) cell lines. Enzymatic activity was evaluated against α-glucosidase, α-amylase, acetylcholinesterase, butyrylcholinesterase, and tyrosinase. Based on the results obtained, in silico studies was performed to identify potential inhibitor of tyrosinase activity. Results showed that oil of O. basilicum was predominantly composed of methyl chavicol (51.9%) followed by linalool (20.0%). Oil of P. undulata was represented by oxygenated monoterpenes (96.9%) with carvotanacetone (92.1%) as the main molecule. Both oils exerted antioxidant activities with oil from P. undulata exerted significant (p<0.05) higher scavenging activity (20.92±0.05DPPH and 62.36±0.25ABTS mg trolox equivalents (TEs)/g) while that obtained from O. basillicum showed significant (p<0.05) higher total antioxidant activity (16.72±0.95 mmol TEs/g), ion reducing power (86.30±2.80FRAP and 115.31±2.03CUPRAC mg TEs/g) and metal chelating ability (21.08±3.45 mg disodium edetate equivalents /g). Both oils showed considerable tyrosinase and α-amylase inhibition activity while only oil of P. undulata displayed acetylcholinesterase (0.95 ± 0.06 mg galanthamine equivalents (GALAEs)/g), butyrylcholinesterase (1.19 ± 0.13 mg GALAEs/g) and α-glucosidase (32.59 ± 0.20 mg acarbose equivalents (ACAEs)/g) inhibition capacity. Both oils showed good anti-proliferative activity towards the three cell lines with higher activity observed from that of O. basillicum (2.8–3.3 µg/mL). In silico studies suggested that methyl chavicol represent a potential inhibitor of tyrosinase activity. In conclusion, the two oils show promise as natural agents with functional properties for food, cosmetics, and pharmaceutical industries.

BackgroundThe yellow jasmine flower (Jasminum humile L.) is a fragrant plant belonging to the Oleaceae family with promising phytoconstituents and interesting medicinal uses. The purpose of this study was to characterize the plant metabolome to identify the potential bioactive agents with cytotoxic effects and the underlying mechanism of cytotoxic activity.MethodsFirst, HPLC–PDA-MS/MS was used to identify the potential bioactive compounds in the flowers. Furthermore, we assessed the cytotoxic activity of the flower extract against breast cancer (MCF-7) cell line using MTT assay followed by the cell cycle, DNA-flow cytometry, and Annexin V-FITC analyses alongside the effect on reactive oxygen species (ROS). Finally, Network pharmacology followed by a molecular docking study was performed to predict the pathways involved in anti-breast cancer activity.ResultsHPLC–PDA-MS/MS tentatively identified 33 compounds, mainly secoiridoids. J. humile extract showed a cytotoxic effect on MCF-7 breast cancer cell line with IC50 value of 9.3 ± 1.2 µg/mL. Studying the apoptotic effect of J. humile extract revealed that it disrupts G2/M phase in the cell cycle, increases the percentage of early and late apoptosis in Annexin V-FTIC, and affects the oxidative stress markers (CAT, SOD, and GSH-R). Network analysis revealed that out of 33 compounds, 24 displayed interaction with 52 human target genes. Relationship between compounds, target genes, and pathways revealed that J. humile exerts its effect on breast cancer by altering, Estrogen signaling pathway, HER2, and EGFR overexpression. To further verify the results of network pharmacology, molecular docking was performed with the five key compounds and the topmost target, EGFR. The results of molecular docking were consistent with those of network pharmacology.ConclusionOur findings suggest that J. humile suppresses breast cancer proliferation and induces cell cycle arrest and apoptosis partly by EGFR signaling pathway, highlighting J. humile as a potential therapeutic candidate against breast cancer.

Surprisingly High Number of Genes are Mutated in Colon and Breast Cancers

Adjuvant Chemotherapy Administration and Survival Outcomes in Lymphoma Survivors with Common Solid Tumors: A Population-Based Study

ED07-03: Role of Vitamin D in prevention of cancer: dose-response relationships

The high incidence of breast cancer is the greastest threat to women’ health all over the world. Among them, HER-2 positive breast cancer has the characteristics of high malignancy, easy recurrence and metastasis, and poor prognosis. Traditional Chinese medicine (TCM) has a rich theoretical basis and clinical application for breast cancer. TCM believes that blood stasis syndrome is one of the important pathogenesis of breast formation and development. Taohong Siwu Decoction (TSHWD) is based on the “First Prescription of Gynecology” Siwu Decoction. It is widely used in various blood stasis and blood deficiency syndromes, mainly in gynecological blood stasis. Clinical studies have found that THSWD can treat breast cancer by reducing blood vessel and lymphangiogenesis with auxiliary chemotherapy. In this study, we aim to explore the material basis and mechanism of THSWD in the treatment of HER-2 positive breast cancer through literature review and network pharmacology studies. Through a literature review of the traditional application, chemical composition of Chinese herbal medicine of THSWD, as well as its clinical reports and pharmacological research on breast cancer treatment. Meanwhile, we conducted “component-pathway-target” network through network pharmacology reveals the main material basis, possible targets and pathways of THSWD in inhibiting HER-2 positive breast cancer. Literature review and network pharmacology research results had predicted that, baicalein, kaempferol, caffeic acid, amygdalin, quercetin, ferulic acid, gallic acid, catalpol, hydroxysafflor yellow A, paeoniflorin in THSWD are the main effective chemical composition. THSWD regulates 386 protein targets and 166 pathways related to breast cancer. The molecular mechanism is mainly to improve the microenvironment of tumor cells, regulate the process of tumor cell EMT, and inhibit tumor cell proliferation and metastasis. This study revealed the mechanism of action of THSWD in the treatment of HER-2 positive breast cancer through literature review and network pharmacology studies, providing a scientific basis for clinical application.

Integrated network pharmacology and metabolomics to investigate the effects and possible mechanisms of Dehydroevodiamine against ethanol-induced gastric ulcers

Dau Ha Chau (DHC) was produced by selecting and growing native kinds of Baccaurea ramiflora Lour. in Vietnam, where the fruit is utilized for fresh eating not only due to its distinctive sour-sweet flavor, but also because of its vitamins and minerals for the body. With the aim to enhance the value of this fruit, the peel, pulp, and seed extracts were determined antioxidant, antibacterial and antidiabetic activities. The filtrates from ethanol extract of peel and seed powders and fruit juice from squeezing pulp were evaporated at 58°C to create the extracts. The six methods of TAC, DPPH, ABTS•+, RP, FRAP, and NO• (antioxidant activities), four bacterial strains and two enzymes (associated with type 2 diabetes mellitus) were evaluated. The results showed that the extract of DHC peel exhibited the highest antioxidant activity (EC50 value from the six methods), antibacterial activity (MIC value), enzyme inhibiting activity (IC50 value), total phenolics content and total flavonoids content, at 643.81 µg/mL, 787.42 µg/mL, 651.10 µg/mL, 718.22 µg/mL, 270.38 µg/mL, 662.44 µg/mL, 16 &lt; MIC ≤ 32 mg/mL (against Propionibacterium acnes, Escherichia coli and Bacillus cereus), 32 &lt; MIC ≤ 64 mg/mL (against Staphylococcus aureus), 2780.91 µg/mL (against α-amylase), 541.24 µg/mL (against α-glucosidase), 119.43 mg GAE/g and 207.17 mg QE/g, respectively, whereas the opposite was true for extract of DHC seed. DHC pulp extract came second in all analytical methods. Pearson correlation coefficients with r value (0.63-0.99) showed a reasonably strong relationship between total phenolics and flavonoids contents, and antioxidant and enzyme inhibiting activities. This is the first report on the antioxidant, antibacterial and antidiabetic activities of DHC Ha Chau fruit extracts, which could be developed for medicinal, pharmaceutical, food preservative purposes, or industrial foods in the future.

Specific Detection of Cytokeratin 20-Positive Cells in Blood of Colorectal and Breast Cancer Patients by a High Sensitivity Real-Time Reverse Transcriptase-Polymerase Chain Reaction Method

HR-LCMS Metabolic Profiling from Kalanchoe pinnata for Tumor Suppression and Therapeutic Bioactivities by In-vitro and Integrated Network Pharmacology, Molecular Docking and Dynamics Simulations

The human microbiome has been proposed as a potentially useful biomarker for several cancers. To examine this, we made use of salivary samples from the Atlantic Partnership for Tomorrow’s Health (PATH) project and Alberta’s Tomorrow Project (ATP). Sample selection was divided into both a retrospective and prospective case control design examining prostate, breast, and colon cancer. In total 89 retrospective and 260 prospective cancer cases were matched to non-cancer controls and saliva samples were sequenced using 16S rRNA gene sequencing. We found no significant differences in alpha diversity. All beta diversity measures were insignificant except for unweighted UniFrac profiles in retrospective breast cancer cases and weighted UniFrac, Bray-Curtis and Robust Atchinson’s distances in colon cancer after testing with age and sex adjusted MiRKAT models. Differential abundance (DA) analysis showed several taxa that were associated with previous cancer in all three groupings. Only one genus (Clostridia UCG-014) in breast cancer and one ASV (Fusobacterium periodonticum) in colon cancer was identified by more than one DA tool. In prospective cases three ASVs were associated with colon cancer, one ASV with breast cancer, and one ASV with prostate cancer. Random Forest classification showed low levels of signal in both study designs in breast and prostate cancer. Contrastingly, colon cancer did show signal in our retrospective analysis (AUC: 0.737) and in one of two prospective cohorts (AUC: 0.717). Our results indicate that it is unlikely that reliable microbial oral biomarkers for breast and prostate cancer exist.. However, further research into the oral microbiome and colon cancer could be fruitful.

ObjectiveScreening approaches using microRNAs (miRNAs) have been gaining increased attention owing to their potential applications in the diagnosis, prognosis, and monitoring of cancer, because aberrant miRNA expression plays a role in the development and advancement of malignancies. The objectives of this study were to characterize mir21, miR31, mir143, mir145, and control RNU43, which are differentially expressed in peripheral blood mononuclear cells (PBMCs) of breast and colorectal cancer patients, compared to that in controls and to establish whether this is specific to breast and colon cancer for use as tumor markers.MethodsThirty newly diagnosed patients with breast cancer and 30 patients with colorectal cancer were enrolled together with 30 healthy controls. PBMCs were isolated from venous blood samples of individuals. Next, miRNA expression analysis was performed by a two-step method of reverse transcription and qPCR.ResultsThe expression levels of miR-143 and miR-31 were significantly decreased, whereas the expression levels of miR-145 and miR-21 were significantly increased in breast cancer patients compared to those in healthy subjects. Moreover, the expression levels of miR-143, miR-145, and miR-21 were significantly increased and, in contrast, the changes in the expression levels of miR-31 were not statistically significant in colon cancer compared to those in healthy subjects. miR-21 exhibited the highest increase in both breast and colon cancers. There was a weak positive correlation between miR-145 and CA-15.3 in patients with breast cancer (r = 0.451; p = 0.012). miR-143 was positively correlated with the TNM stage in colon cancer patients (r = 0.568; p = 0.001).ConclusionA biomarker panel composed of miR-21, miR-31, miR-143, and miR-145 in PBMC may provide a new diagnostic approach for the early detection of breast and colon cancer. As miR-21 expression was found to be the highest among all the miRNAs evaluated, it may represent a new tumor biomarker and a candidate therapeutic drug or gene target in colon and breast cancer.

To examine the roles and mechanisms of tanshinone IIA (Tan-IIA) in colorectal cancer (CRC) using network pharmacology, molecular docking, and in vitro experiments. In network pharmacology studies, Tan-IIA targets for treating CRC were identified using public databases. Employing the protein-protein interaction (PPI) network, gene ontology (GO) enrichment, and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses, the core genes and mechanisms of action of Tan-IIA were obtained. Core targets were validated using Gene Expression Profiling Interactive Analysis, the Human Protein Atlas, DriverDBv3, cBioPortal, and the Tumor Immune Estimation Resource database. Molecular docking validates the binding affinity of Tan-IIA to some key targets. Network pharmacology and molecular docking results were validated via in vitro experiments. Intersecting Tan-IIA and CRC targets led to the identification of 25 potential targets. PPI analysis identified 10 core targets of Tan-IIA for CRC treatment. Database validation revealed that these core targets were expressed at varying levels in both normal and cancer tissues. Their expression could influence patient prognosis and immune cell infiltration levels. GO analysis revealed 170 biological processes, 42 cellular components, and 83 molecular functions. KEGG analysis indicated that Tan-IIA affected CRC through multiple pathways, including the phosphoinositide 3-kinase/protein kinase B (PI3K/AKT), cAMP, and TNF signaling pathways, with the PI3K/AKT pathway being the most enriched. Molecular docking results indicated that Tan-IIA effectively binds to PI3K, AKT, and other partial core targets. In vitro experiments revealed that Tan-IIA suppressed the multiplication and migration of HCT116 and SW480 cells, induced apoptosis, and reduced the PI3K/AKT pathway indicator protein expression, which was reversed by the PI3K/AKT pathway agonist insulin-like growth factor-1. Network pharmacology, molecular docking, and in vitro validation confirmed that Tan-IIA contributes to CRC treatment through the PI3K/AKT pathway, providing theoretical and experimental foundations for its potential clinical application.

BackgroundThe current study aimed to evaluate the anti-inflammatory, anti-oxidant, and pronounced gastro-protective activities of β- Citronellol using in vitro, in vivo assays and in silico approaches.MethodsIn vitro assays, denaturation of bovine serum albumin, egg protein, and human Red Blood Cells (RBCs) membrane stabilization were performed, using Piroxicam as standard. For in vivo assessment, Histamine (0.1 ml from 1% w/v) and Formaldehyde (0.1 ml from 2% v/v) were used to mediate inflammation. In silico molecular docking and network pharmacology were employed to probe the possible target genes mediating gastroprotective effect of β-Citronellol at 25, 50, and 100 mg/kg, using indomethacin-induced (25 mg/kg i.p) gastric ulcer in rats. Moreover, Gastric tissues were evaluated for morphological, histopathological, and bio-chemical analysis of PGE2, COX-I, COX-II, 5-LOX, eNOS, ICAM-1, oxygen-free radical scavengers (SOD, CAT), and oxidative stress marker (MDA).Resultsβ-Citronellol prevented denaturation of proteins and RBCs membrane stabilization with maximum effect observed at 6,400 µg/mL. Citronellol decreased rat’s paw edema. Network pharmacology and docking studies revealed gastro-protective potential of Citronellol possibly mediated through arachidonic acid pathways by targeting COX-I, COX-II, PGE2, and 5-LOX. Citronellol reduced the ulcer indices, and histopathological changes. Further, β-Citronellol (50 and 100 mg/kg) increased gastric PGE2, COX-1, and eNOS; while suppressing COX-2, 5-LOX and ICAM-1. Citronellol markedly enhanced the oxidative balance in isolated rat stomach tissues.ConclusionsThe anti-inflammatory, anti-oxidant, and gastro-protective effects of β-Citronellol against indomethacin-induced gastric ulcer model in rats through mediating COX-I, COX-II, PGE2, 5-LOX, eNOS, and ICAM-1 inflammatory markers.Graphical abstract