Aug 2026· International Journal of Molecular Sciences· 0 citations· 67 references
TL;DR
Differential serum peptide expression in AR patients treated with BJK remedy compared to loratadine compared to loratadine is investigated using MALDI-TOF MS and LC-MS/MS to elucidate the mechanisms of BJK remedy and loratadine in treatment, supporting the further development of targeted therapies and biomarkers.
Abstract
Benjakul (BJK) remedy, traditionally used to balance the four elements, has demonstrated clinical efficacy in relieving inflammation and allergic rhinitis (AR) symptoms. This study investigated differential serum peptide expression in AR patients treated with BJK remedy compared to loratadine using MALDI-TOF MS and LC-MS/MS. MALDI-TOF MS revealed four shared mass peptide patterns that were significantly upregulated (p < 0.05) after 3 and 6 weeks of both treatments. Identifying the peptides, 17β-hydroxysteroid dehydrogenase (17β-HSD) and microtubule-actin cross-linking factor 1 (MACF1) were linked to inflammatory suppression and hormonal balance, while zinc finger CCCH-type containing 4 (ZC3H4) and transducin beta-like protein 3 (TBL3) were associated with the relief of pulmonary fibrosis. Conversely, zinc finger homeobox 3 (ZFHX3) and transformation/transcription domain-associated protein (TRRAP) remained elevated after treatment, potentially promoting persistent inflammation via E2F transcription factor 1- (E2F1-) and E2F transcription factor 4- (E2F4-) mediated transcription. Among 1113 peptides identified by LC-MS/MS (selected using a significance threshold of p < 0.05, without a fixed fold-change cutoff), 6-week treatment with BJK remedy significantly downregulated UBQLN1 (4.562-fold; p = 0.016), suppressing toll-like receptor (TLR) activation and B-cell proliferation. It also upregulated Prostaglandin E synthase 2 (PTGES2) and PDZ and LIM domain protein 2 (PDLIM2) (7.841-fold and 8.697-fold, respectively; p = 0.004 and 0.002), while enhancing antioxidant and immunoregulatory responses via ATP-binding cassette subfamily B member 8 (ABCB8) and ADP-ribosylation factor GTPase-activating protein 3 (ARFGAP3). By comparison, 3 weeks loratadine treatment significantly downregulated E2F transcription factor 3 (E2F3) and general transcription factor IIIC subunit 6 (GTF3C6) (p = 0.034 and 0.017) and upregulated CTD small phosphatase like 2 (CTDSPL2), suggesting a distinct but complementary anti-inflammatory mechanism. Together, these findings enhance the understanding of AR pathophysiology and may help to elucidate the mechanisms of BJK remedy and loratadine in treatment, supporting the further development of targeted therapies and biomarkers.
ETHNOPHARMACOLOGICAL RELEVANCE
5-Fluorouracil (5-FU)-induced diarrhea severely impacts chemotherapy outcomes. Swertia macrosperma (C. B. Clarke) C. B. Clarke in Hook. f. is traditionally used for diarrhea, yet its efficacy and mechanism remain unclear.
AIM OF THE STUDY
This study first investigated the anti-diarrheal potential of 70% ethanol extract from S. macrosperma (SME).
MATERIALS AND METHODS
In a 5-FU-induced mouse model, SME was evaluated for its effects on diarrhea severity, weight loss, intestinal histopathology, oxidative stress (MDA, SOD, GSH), inflammation (TNF-α, IL-6, COX-2, iNOS), and tight junction proteins (Claudin-1, Occludin). Phytochemical investigation (including isolation, structural elucidation, and UPLC-MS quantification), IEC-6 cell-based mechanistic studies, network pharmacology, and Western blot analysis (for PI3K-AKT pathway) were performed.
RESULTS
SME significantly alleviated weight loss, diarrhea severity, and intestinal histopathological damage. It inhibited oxidative stress and inflammation while upregulating tight junction proteins, thereby protecting intestinal barrier integrity. Phytochemical investigation yielded 57 compounds, including three new isolates (swemacronosides A-C) and 37 first-time reports for this species. UPLC-MS quantification identified compounds 7, 8, and 23 as the predominant constituents. Mechanistic studies indicated that SME ameliorated diarrhea symptoms in mice via the PI3K-AKT signaling pathway. Western blot confirmed that compounds 7 and 23 significantly restored the 5-FU-induced downregulation of PI3K expression and the p-AKT/AKT ratio.
CONCLUSION
S. macrosperma ameliorates 5-FU-induced diarrhea, and the mechanism potentially involves the PI3K-AKT pathway. However, under the present experimental conditions, it did not significantly reverse 5-FU-induced thymic and splenic atrophy. These findings provide a scientific basis for clinical application and offer potential chemical markers for future quality control studies of S. macrosperma.
Xiaoyan Cao, Huimin Li, Qianqian Geng et al.· Journal of Ethnopharmacology· 0 citations
Glycyrrhiza glabra
L. (licorice), renowned in ethnopharmacology, harbors bioactive metabolites such as glycyrrhizin, liquiritin, and flavonoids that confer antiviral, anti-inflammatory, antioxidant, and immunomodulatory properties pertinent to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. This review appraises
in vitro, in silico
, preclinical, and clinical data, revealing glycyrrhizin’s potent inhibition of SARS-CoV-2 main protease (Mpro; EC50 ≈ 0.44 mg/mL in Vero E6 cells) and disruption of envelope protein lipid interactions, alongside suppression of cytopathic effects and plaque formation. Anti-inflammatory efficacy stems from downregulated nuclear factor kappa B (NF-κB), mitogen-activated protein kinase (MAPK), and cytokines (tumour necrosis factor-α (TNF-α), interleukin-6 (IL-6)), mitigating cytokine storms, while immunostimulant effects include T-/B-lymphocyte proliferation and natural killer cell activation. Preliminary randomised trials (n=20-70) in mild-moderate coronavirus disease 2019 (COVID-19) demonstrate symptom alleviation (cough, dyspnea;
p
<0.05) with root extracts (700-760 mg/day), though severe cases warrant larger validations addressing glycyrrhizin-induced hypokalemia risks. These findings advocate licorice as an adjunctive therapeutic candidate, pending optimised formulations. Furthermore, advanced technological approaches including in silico modelling, molecular docking, and computational target prediction have accelerated the identification of licorice-derived bio-actives and their therapeutic targets against SARS-CoV-2.
Mohamed S. Sedeek, Nesma M. Ahmed, Salman Ahmed et al.· Science and Technology Nexus· 0 citations
Baloxavir marboxil, a novel RNA polymerase inhibitor for the treatment of influenza, suppresses viral replication at the initiation stage of RNA transcription and has demonstrated significant clinical efficacy in reducing viral load and rapidly alleviating respiratory symptoms. Previous studies have primarily focused on its pharmacodynamics and clinical efficacy, whereas systematic investigations into its related substances (RSs) and their structural characteristics remain limited. In this study, two-dimensional liquid chromatography-quadrupole time-of-flight mass spectrometry (2D-LC-Q-TOF/MS) was employed to detect and characterize process-related impurities in the baloxavir marboxil active pharmaceutical ingredient (API) and degradation products formed in its stressed samples, in accordance with the ICH Q1A(R2) guideline. Based on chromatographic retention behavior and high-resolution MS/MS fragmentation patterns, a total of 14 impurity-related peaks were characterized, including four process-related impurities and ten degradation products. Among them, six impurities, including IMP C and five degradation products (RSs 5, 6, 8, 9 and 12), were not found in the available literature and were characterized in this study. The major degradation pathways were proposed, involving side-chain hydrolysis, oxidation of the sulfur-containing aromatic ring, and the cleavage of heterocyclic linkages. Furthermore, a preliminary genotoxicity assessment of the characterized impurities was conducted in accordance with the ICH M7(R2) guideline using in-silico (Q)SAR prediction approaches, and revealed that these related substances did not exhibit genotoxic structural alerts. The determined impurity profile of baloxavir marboxil and the evaluated impurities' potential safety risks can provide a valuable reference for its impurity control, stability evaluation, and quality risk management.
Zhi-tong Liu, Meng Ji, Yan-rong Yao et al.· Journal of Pharmaceutical an...· 0 citations
Psoriasis is a chronic immune-mediated skin disorder associated with dysregulation of inflammatory pathways including STAT3, IL-12, IL-23, and TNF-α. In this study, a rational molecular-docking approach was employed to screen phytoconstituents traditionally used in psoriasis management. From an initial pool of over 250 compounds, kaempferol, glycitein, corylin, and cinnamic acid demonstrated strong binding affinity and favourable safety profiles against key inflammatory targets. These compounds were incorporated into a Carbopol-based topical gel and evaluated for safety and therapeutic benefit. Dermal irritation studies confirmed good tolerability. A clinical study in psoriatic patients showed progressive improvement in PASI scores from baseline (10.78) to during treatment (8.66) and post-treatment (6.45), with statistically significant improvement between weeks two and four (p = 0.0089). No major adverse effects were reported. The findings indicate that docking-guided phytochemical selection combined with topical delivery offers a promising, well-tolerated anti-psoriatic strategy warranting further large-scale investigation.
Megavath Nandini, D. Swathi, V. Umarani et al.· International journal of cur...· 0 citations
OBJECTIVES
Biaoxu Ganmao Granules (BXGG) is used clinically for wind-cold syndrome; however, its effects on cyclophosphamide (CTX)-induced immunosuppression and the associated pharmacological basis remain incompletely characterized.
METHODS
Two mouse cohorts were used to evaluate BXGG and paeoniflorin in a CTX-induced immunosuppression model. Body weight, thymus and spleen indices, splenic histopathology, serum cytokines, and peripheral blood cell counts were assessed. Ultra-high-performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UHPLC-QTOF-MS/MS), network pharmacology, and molecular docking were used to characterize BXGG constituents, blood-absorbed constituents, and putative targets. Paeoniflorin was selected as a representative blood-absorbed constituent for preliminary in vivo validation, and proteins related to the toll-like receptor 4/nuclear factor kappa B (TLR4/NF-κB) pathway were examined by Western blotting.
RESULTS
BXGG partially reversed CTX-associated reductions in body weight, thymus and spleen indices. It also partially restored serum interleukin-2 (IL-2), interleukin-4 (IL-4), and interferon-gamma (IFN-γ) levels, and white blood cell (WBC), lymphocyte (LYMPH), platelet (PLT), and reticulocyte (RET) counts. Network analysis and docking prioritized paeoniflorin as a candidate immune-regulatory constituent. Paeoniflorin improved several CTX-impaired immune-related outcomes and decreased TLR4 expression and the phosphorylated inhibitor of κB alpha/inhibitor of κB alpha (p-IκBα/IκBα) and phosphorylated NF-κB p65/NF-κB p65 (p-p65/p65) ratios in spleen tissue.
CONCLUSIONS
BXGG ameliorated several CTX-induced immunosuppressive changes in mice. Paeoniflorin, selected as a representative absorbed constituent, partially reproduced the immunoprotective phenotype and was associated with attenuation of TLR4/NF-κB activation. The contributions and potential synergy of other absorbed compounds require further investigation.
Purpose Yinqiao powder (YQP) is a traditional Chinese medicine formula that has been widely used clinically to treat infectious diseases such as respiratory tract infections, influenza, and pneumonia, exhibiting anti-inflammatory and antiviral properties. This study aimed to investigate its therapeutic potential for atopic dermatitis (AD) and to identify its key target genes and active components. Methods We performed mRNA transcriptome sequencing on blood samples collected from 15 adult patients with AD and 15 adult healthy controls. Potential targets were identified by intersecting differentially expressed genes (DEGs) with known YQP target genes. Key genes were pinpointed using protein-protein interaction networks and receiver operating characteristic (ROC) curve analysis. We estimated immune cell proportions, constructed regulatory networks, and used molecular docking to predict active ingredients. Single-cell RNA sequencing data (GSE180885) was also analyzed to identify key cell types and track gene expression. Results Fifty-two potential target genes were identified. From these, four key genes—CTNNB1, ERBB2, TP53, and HIF1A—were highlighted, potentially involved in carbon metabolism and organelle biosynthesis. A nomogram model based on these genes showed strong predictive power for AD. Immune analysis linked resting CD4+ memory T cells with TP53 and HIF1A. Molecular docking suggested beta-carotene, aloe-emodin, and quercetin as potential active ingredients binding to these key targets. Single-cell analysis identified keratinocytes as a key population, with key gene expression varying during their differentiation. Conclusion This study indicates that CTNNB1, ERBB2, TP53, and HIF1A are key targets of YQP in AD treatment, with beta-carotene, aloe-emodin, and quercetin as likely active components. These findings provide a theoretical basis for using YQP in AD therapy.
Lila Luo· Journal of Asthma and Allerg...· 0 citations