Loading...
http://jcps.bjmu.edu.cn

Table of Content

    31 May 2026, Volume 35 Issue 5
    Original articles
    Molecular docking and dynamics simulations reveal phytosterol mechanisms in chronic kidney disease therapy
    Rui Li, Ying Zhang, Yurong Chen, Yingjie Gao, Fan Yang
    2026, 35(5):  407-419.  DOI: 10.5246/jcps.2026.05.029
    Asbtract ( 39 )   HTML ( 2)   PDF (10910KB) ( 5 )  
    Figures and Tables | References | Related Articles | Metrics

    Chronic kidney disease (CKD) represents a growing global health challenge due to its high prevalence, multifactorial pathogenesis, and limited therapeutic options. Phytosterols, a class of naturally occurring bioactive compounds widely present in plants, have garnered increasing attention for their anti-inflammatory, antioxidant, and immunomodulatory properties. Among these, stigmasterol (Stig) and β-sitosterol (β-Sito) are the most abundant and biologically active representatives, previously reported to confer protective effects against cardiovascular, metabolic, and renal disorders. In the present study, we explored the potential molecular mechanisms of these phytosterols in a folic acid (FA)-induced CKD mouse model. Comprehensive transcriptomic analysis revealed that Sting1, a gene critically involved in innate immune responses, was markedly upregulated in CKD and significantly downregulated following phytosterol treatment. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses further implicated immune- and inflammation-related pathways, such as cytokine-cytokine receptor interaction and chemokine signaling, as potential mediators of the therapeutic effects. Molecular docking and molecular dynamics (MD) simulations demonstrated stable binding of both phytosterols to the Sting1 protein, with stigmasterol exhibiting higher binding affinity and greater conformational stability. Detailed analyses of root-mean-square deviation (RMSD), root-mean-square fluctuation (RMSF), and radius of gyration (Rg) supported the structural integrity of the phytosterol-Sting1 complexes. MM-PBSA energy decomposition identified PHE-268 and PRO-208 as key residues mediating the interactions. Moreover, cellular thermal shift assays (CETSA) in HK-2 cells confirmed that both compounds enhanced the thermal stability of Sting1 under moderate heat stress (40–49 °C), providing additional evidence for a direct interaction. Taken together, these findings indicated that phytosterols might exert nephroprotective effects through direct modulation of Sting1, thereby attenuating immune and inflammatory dysregulation in CKD. This study offered novel mechanistic insights and established a theoretical foundation for the development of phytosterol-based therapeutic interventions for CKD.

    Targeting TREM1: screening metabolically-active TCM compounds for TAM polarization and enhancing PD-1 inhibitor efficacy in HCC by alleviating immunosuppression
    Ruiwei Yao, Ziyi Zeng, Yue He, Ying Zhang, Chong Zhong, Jinfang Zhang
    2026, 35(5):  420-437.  DOI: 10.5246/jcps.2026.05.030
    Asbtract ( 29 )   HTML ( 3)   PDF (4000KB) ( 4 )  
    Figures and Tables | References | Related Articles | Metrics

    Hepatocellular carcinoma (HCC), characterized by its high malignancy, poses a serious threat to patient survival and health. Immunotherapy has increasingly emerged as a key therapeutic strategy for HCC; however, the immunosuppressive tumor microenvironment (TME) frequently undermines its efficacy. Therefore, identifying molecular targets and therapeutic agents capable of alleviating this immunosuppression is of paramount importance. In this study, bioinformatics analyses revealed that triggering receptor expressed on myeloid cells-1 (TREM1) expression correlated positively with HCC progression, and elevated TREM1 levels were associated with poorer clinical outcomes. Notably, TREM1 was predominantly expressed in macrophages and exhibited the strongest interaction with these cells within the TME. Functional in vitro assays demonstrated that silencing TREM1 attenuated the immunosuppressive phenotype of tumor-associated macrophages (TAMs). In a subcutaneous mouse tumor model, TREM1 knockdown synergized with PD-1 blockade to enhance anti-tumor efficacy. RNA sequencing further indicated that TREM1 modulated metabolism-related pathways. Complementary literature review and molecular docking analyses suggested that specific bioactive compounds derived from traditional Chinese medicine (TCM) might exert anti-HCC effects by targeting TREM1 and regulating TAM metabolism. Collectively, these findings provided a novel mechanistic framework for understanding the immunomodulatory potential of TCM in HCC therapy.

    Cyasterone alleviates collagen-induced arthritis in mice by activating autophagy and inhibiting inflammation via the TLR4/MyD88/NF-κB signaling pathway
    Xinfang Tan, Yuan Liu, Pengbo Shi, Jiangtao Ma, Chengxi Huang, Zhifang Wu, Xiaoshen Hu, Liangliang Xu
    2026, 35(5):  438-453.  DOI: 10.5246/jcps.2026.05.031
    Asbtract ( 23 )   HTML ( 2)   PDF (9118KB) ( 4 )  
    Figures and Tables | References | Related Articles | Metrics

    Rheumatoid arthritis (RA) is a chronic autoimmune disease. Cyasterone, a phytoecdysteroid, demonstrates anti-inflammatory potential, but its mechanism in RA remains unclear. This study aims to investigate Cyasterone’s therapeutic effect and underlying mechanisms in collagen-induced arthritis (CIA) mice. Cell migration and cell invasion capabilities were measured by the transwell assay. Apoptosis was detected by TUNEL or flow cytometry. Tail vein injection of bovine type II collagen was used to establish the mouse CIA model. The enzyme-linked immunoassay was performed to measure inflammatory factor concentrations. Quantitative real-time PCR or WB analysis was performed to detect gene or protein expression. CIA was assessed by the arthritis index and claw thickness curve, etc. The results demonstrated that Cyasterone had dose-dependent inhibitory effects on the proliferation, migration, and invasion of rheumatoid arthritis-fibroblast like synoviocytes (RA-FLS). Cyasterone increased apoptosis and reduced inflammation in RA-FLS, indicating its protective effects in RA. Cyasterone inhibited TLR4/MyD88/NF-κB pathway and increased autophagy in RA-FLS, as demonstrated by reduced TLR4, MyD88, phosphorylated p65, and p-mTOR levels while increasing Beclin 1 expression and light chain 3 II/I ratio. The in vivo results further confirmed that Cyasterone reduced the arthritis index and paw swelling, significantly reduced the serum levels of inflammatory factors, alleviated synovial hyperplasia and destruction of cartilage structure, demonstrating an anti-cartilage damage effect. In conclusion, Cyasterone protected against CIA through the TLR4/MyD88/NF-κB signaling pathway, which might be a promising candidate for arthritis treatment.

    Identification of target genes for dapagliflozin against Alzheimer’s disease based on bioinformatics and verification by in vitro experiments
    Huiting Liu, Zhiwang Lai, Shuiyin Deng, Yi Zheng, Hongjin Gao
    2026, 35(5):  454-466.  DOI: 10.5246/jcps.2026.05.032
    Asbtract ( 5 )   HTML ( 3)   PDF (4465KB) ( 2 )  
    Figures and Tables | References | Related Articles | Metrics

    Recent clinical evidence suggests that dapagliflozin may confer protective effects against Alzheimer’s disease (AD); however, its precise molecular mechanisms and specific targets remain largely undefined. In the present study, we employed bioinformatics approaches to systematically screen potential molecular targets of dapagliflozin in the context of AD, followed by in vitro validation, aiming to establish a theoretical foundation for its preventive and therapeutic applications. To identify differentially expressed genes (DEGs), three gene expression microarray datasets (GSE118553, GSE122063, and GSE132903) were retrieved from the GEO database, encompassing a total of 242 normal human brain tissue samples and 320 AD brain tissue samples. Functional enrichment analyses were subsequently conducted to elucidate the biological significance of the identified DEGs. A protein-protein interaction (PPI) network was constructed using Cytoscape software to pinpoint the top five core targets. Molecular docking simulations between dapagliflozin and these core targets were performed using AutoDockTools and Vina. Finally, an AD cellular model was established by treating HT-22 cells with amyloid β-protein 1-42 (Aβ1-42), and the modulatory effects of dapagliflozin on the core targets were experimentally validated in vitro. A total of 77 DEGs were identified. Subsequent PPI network analysis highlighted five central targets: Glial fibrillary acidic protein (GFAP), Synaptophysin, Synaptotagmin-1 (SYT1), Somatostatin (SST), and Glutamate decarboxylase 2 (GAD2). Molecular docking results demonstrated that all five targets exhibited favorable binding interactions with dapagliflozin, with SYT1 displaying the highest binding affinity (i.e., the lowest binding energy). In vitro experiments further confirmed that dapagliflozin significantly upregulated SYT1 expression at both mRNA and protein levels in the AD model.

    Infections and immunosuppressive management in kidney transplantation
    Shuo Lin, Jingjing Chen, Jianjie Ju, Zhongyong Yuan, Zhouhua Wang
    2026, 35(5):  467-480.  DOI: 10.5246/jcps.2026.05.033
    Asbtract ( 6 )   HTML ( 2)   PDF (9605KB) ( 3 )  
    Figures and Tables | References | Related Articles | Metrics

    Infections remain a leading cause of morbidity, mortality, and allograft dysfunction in kidney transplant recipients, with immunosuppressive management continuing to shape susceptibility to both traditional and emerging pathogens. Increasing clinical complexity, including shifts in viral epidemiology, the global emergence of SARS-CoV-2, and a growing emphasis on individualized immunosuppression, has accelerated research activity in this domain. To contextualize these developments, this bibliometric study systematically mapped global research on infection management and immunosuppressive strategies in kidney transplantation over the past 15 years. A total of 2568 English-language publications indexed in the Web of Science Core Collection (WOSCC) were analyzed using CiteSpace 6.3.R1, VOSviewer 1.6.11, and the bibliometrix package to assess publication trajectories, geographic and institutional contributions, collaboration networks, and thematic evolution. Research output increased steadily and spanned 98 countries, with the United States producing the highest number of publications (1019 articles), followed by Germany, France, China, and Italy. Institutional and author collaboration networks demonstrated durable, long-standing partnerships. Keyword co-occurrence analysis identified 100 high-frequency terms clustered into six thematic groups, while temporal mapping revealed a shift from earlier focus areas, such as BK polyomavirus (BKPyV), cytomegalovirus (CMV), and immunosuppressive toxicity, toward more recent interests in immune monitoring, biomarker discovery, individualized immunosuppression, and COVID-19–related complications. Collectively, these findings delineated the evolving global research landscape and underscored the need for strengthened cross-regional collaboration, expanded real-world evidence, and precision immunomodulation guided by virologic and immunologic profiling.

    Rapid health technology assessment of ibuprofen and acetaminophen in the treatment of fever in children with asthma
    Minzhe Shen, Longhui Shen, Yingyan Yan
    2026, 35(5):  481-490.  DOI: 10.5246/jcps.2026.05.034
    Asbtract ( 4 )   HTML ( 2)   PDF (2386KB) ( 3 )  
    Figures and Tables | References | Related Articles | Metrics

    This study aimed to assess the efficacy, safety, and cost-effectiveness of ibuprofen and acetaminophen for managing fever in children with asthma, providing evidence-based guidance for clinical decision-making and treatment regimen selection. A rapid health technology assessment approach was employed. Following a comprehensive literature search of PubMed, Embase, Cochrane Library, Web of Science, CNKI, Wanfang, official websites, and relevant health technology assessment databases, the retrieved studies were screened, and data were extracted and evaluated for quality. A total of nine studies were included, comprising two reviews, five systematic reviews/meta-analyses (SRs/MAs), one randomized controlled trial, and one health technology assessment report. Regarding efficacy, combined or alternating therapy demonstrated superior temperature reduction compared with monotherapy, resulting in a lower proportion of children remaining febrile and a longer afebrile period after 4 h. Within the initial 4-hour window, ibuprofen monotherapy was more effective than acetaminophen monotherapy. In terms of safety, the overall incidence of adverse drug reactions was comparable across combined therapy, alternating therapy, and monotherapy; however, the included studies reported inconsistent findings concerning the risk of asthma onset or exacerbation. Concerning cost-effectiveness, although specific analyses in asthmatic populations were lacking, evidence from the United Kingdom indicated that, from the perspective of the National Health Service, combined therapy was more cost-effective than monotherapy in reducing fever, whereas from the parental perspective, this advantage emerged only after 5 d of treatment. Overall, compared with monotherapy, combined and alternating therapies exhibit greater efficacy in treating fever in children with asthma; nonetheless, further high-quality studies are warranted to clarify their safety profile and cost-effectiveness.

    Development and validation of a risk prediction model for tigecycline-induced thrombocytopenia
    Haiying Chen, Shiya Wu, Jianjie Ju, Feifei Zhou, Qi Lin
    2026, 35(5):  491-501.  DOI: 10.5246/jcps.2026.05.035
    Asbtract ( 8 )   HTML ( 4)   PDF (3120KB) ( 2 )  
    Figures and Tables | References | Related Articles | Metrics

    The study aimed to construct and validate a logistic regression–based prediction model for tigecycline (TGC)–induced thrombocytopenia, to delineate its principal risk determinants, and to develop a clinically applicable tool for early risk stratification. A retrospective cohort study was performed using data from hospitalized patients who received TGC therapy at a tertiary medical center between January 2020 and January 2024. A total of 64 candidate clinical variables were initially considered and subsequently selected using a hybrid LASSO-Boruta algorithm. Model performance was assessed through 10-fold cross-validation, receiver operating characteristic (ROC) analysis, and calibration curve evaluation. A dynamic nomogram was further developed to facilitate bedside implementation. Of the 919 eligible patients, 224 experienced thrombocytopenia, corresponding to an incidence rate of 24.37%. Nine variables emerged as independent predictors, including age, intensive care unit admission, mechanical ventilation, maintenance dose of TGC, baseline platelet count, red blood cell count, serum creatinine, potassium, and blood urea nitrogen. The model achieved an area under the curve (AUC) of 0.744 in the training cohort and 0.736 in the validation cohort, with a Brier score of 0.149, indicating favorable discriminative ability and calibration. Decision curve analysis (DCA) demonstrated a meaningful clinical net benefit across threshold probabilities ranging from 18% to 63%. Overall, the proposed logistic regression model and its accompanying dynamic nomogram exhibited robust predictive performance and clinical utility, offering a practical and interpretable approach for the early identification of patients at elevated risk of TGC-induced thrombocytopenia.

    News
    The research team of Prof. Demin Zhou and Prof. Sulong Xiao developed a zanamivir-garlic amine conjugate: A Dual-Action Agent with Broad-Spectrum Synergistic Antiviral Efficacy
    State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center
    2026, 35(5):  502-502. 
    Asbtract ( 5 )   PDF (1408KB) ( 2 )  
    Related Articles | Metrics
    The research team of Prof. Demin Zhou and Prof. Sulong Xiao developed a zanamivir-garlic amine conjugate: A Dual-Action Agent with Broad-Spectrum Synergistic Antiviral Efficacy.
    The research team of Prof. Yang Xu has made progress in their study on the heterogeneous treatment effects of statins on dementia
    Department of Pharmacy Administration and Clinical Pharmacy, School of Pharmaceutical Sciences, Peking University Health Science Center
    2026, 35(5):  503-503. 
    Asbtract ( 4 )   PDF (1477KB) ( 2 )  
    Related Articles | Metrics
    The research team of Prof. Yang Xu has made progress in their study on the heterogeneous treatment effects of statins on dementia.
    The research team of Prof. Xinshan Ye has developed glycosylated graphene-nylon fibers: A new material platform to balance the nanotoxicity and bioactivity for anti-infective therapy
    State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center
    2026, 35(5):  504-504. 
    Asbtract ( 3 )   PDF (1505KB) ( 2 )  
    Related Articles | Metrics
    The research team of Prof. Xinshan Ye has developed glycosylated graphene-nylon fibers: A new material platform to balance the nanotoxicity and bioactivity for anti-infective therapy.
    The research teams of Prof. Yiguang Wang/Prof. Qiang Zhang/Prof. Binlong Chen have developed a new personalized cancer immunotherapy strategy based on pyroptosis
    State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center
    2026, 35(5):  505-505. 
    Asbtract ( 4 )   PDF (1488KB) ( 2 )  
    Related Articles | Metrics
    The research teams of Prof. Yiguang Wang/Prof. Qiang Zhang/Prof. Binlong Chen have developed a new personalized cancer immunotherapy strategy based on pyroptosis.
    The research teams of Prof. Zhuo Huang and Prof. Houhua Li collaborated to develop photoswitchable NaV1.5 channel blockers for optical control of the cardiac rhythm
    State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center
    2026, 35(5):  506-507. 
    Asbtract ( 5 )   PDF (1388KB) ( 2 )  
    Related Articles | Metrics
    The research teams of Prof. Zhuo Huang and Prof. Houhua Li collaborated to develop photoswitchable NaV1.5 channel blockers for optical control of the cardiac rhythm.
    The research team of Prof. Ning Jiao solved the world’s long-standing challenge in direct conversion from alkenes to alkynes
    State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center
    2026, 35(5):  508-508. 
    Asbtract ( 8 )   PDF (1512KB) ( 2 )  
    Related Articles | Metrics
    The research team of Prof. Ning Jiao solved the world’s long-standing challenge in direct conversion from alkenes to alkynes.