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Acta Pharmaceutica Sinica B 2024年第9期14卷 4073-4086页

作者： Mengru Cai Tingting Fu Rongyue Zhu Panxiang Hu Jiahui Kong Shilang Liao Yuji Du Yongqiang Zhang Changhai Qu Xiaoxv Dong Xingbin Yin Jian Ni school of chinese materia medica Beijing University of Chinese MedicineBeijing 102488China

Ferroptosis is a recently discovered pathway for regulated cell death ***,its efficacy is affected by limited iron content and intracellular ion ***,we designed a metalorganic framework(MOF)-based nanoplatform that incorporates calcium peroxide(CaO2)and oridonin(ORI).This platform can improve the tumor microenvironment and disrupt intracellular iron homeostasis,thereby enhancing ferroptosis *** cell membranes(FM)were used to modify nanoparticles(ORI@CaO2@Fe-TCPP,NPs)to produce FM@ORI@CaO2@Fe-TCPP(FM@NPs).The encapsulated ORI inhibited the HSPB1/PCBP1/IREB2 and FSP1/COQ10 pathways simultaneously,working in tandem with Fe3t to induce *** therapy(PDT)guided by porphyrin(TCPP)significantly enhanced ferroptosis through excessive accumulation of reactive oxygen species(ROS).This selfamplifying strategy promoted robust ferroptosis,which could work synergistically with FM-mediated *** vivo experiments showed that FM@NPs inhibited 91.57%of melanoma cells within six days,a rate 5.6 times higher than chemotherapy ***@NPs were biodegraded and directly eliminated in the urine or faeces without substantial ***,this study demonstrated that combining immunotherapy with efficient ferroptosis induction through nanotechnology is a feasible and promising strategy for melanoma treatment.

关键词： Metal-organic frameworks Immunotherapy Self-amplifying ferroptosis Photodynamic therapy Chemodynamic therapy Oridonin Fused cell membrane coating Metabolization

Nuciferine alleviates collagen-induced arthritic in rats by inhibiting the proliferation and invasion of human arthritis-derived fibroblast-like synoviocytes and rectifying Th17/Treg imbalance

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chinese Journal of Natural Medicines 2024年第4期22卷 341-355页

作者： WANG Hao GENG Xiaolong AI Fangbin YU Zhilun ZHANG Yan ZHANG Beibei LV Cheng GAO Ruiyang YUE Bei DOU Wei The MOE Key Laboratory of Standardization of chinese Medicines Shanghai Key Laboratory of Compound Chinese Medicinesand the SATCM Key Laboratory of New Resources and Quality Evaluation of Chinese MedicineInstitute of Chinese Materia MedicaSchool of Traditional Chinese Materia MedicaShanghai University of Traditional Chinese Medicine(SHUTCM)Shanghai 201203China

Rheumatoid arthritis(RA)is a chronic autoimmune disorder marked by persistent synovial inflammation and joint degradation,posing challenges in the development of effective ***,an alkaloid found in lotus leaf,has shown promising anti-inflammatory and anti-tumor effects,yet its efficacy in RA treatment remains *** study investigated the antiproliferative effects of nuciferine on the MH7A cell line,a human RA-derived fibroblast-like synoviocyte,revealing its ability to inhibit cell proliferation,promote apoptosis,induce apoptosis,and cause G1/S phase ***,nuciferine significantly reduced the migration and invasion capabilities of MH7A *** therapeutic potential of nuciferine was further evaluated in a collagen-induced arthritis(CIA)rat model,where it markedly alleviated joint swelling,synovial hyperplasia,cartilage injury,and inflammatory *** also improved collagen-induced bone erosion,decreased pro-inflammatory cytokines and serum immunoglobulins(IgG,IgG1,IgG2a),and restored the balance between T helper(Th)17 and regulatory T cells in the spleen of CIA *** results indicate that nuciferine may offer therapeutic advantages for RA by decreasing the proliferation and invasiveness of FLS cells and correcting the Th17/Treg cell imbalance in CIA rats.

关键词： Rheumatoid arthritis Collagen-induced arthritis Fibroblast-like synoviocyte Immune imbalance Nuciferine

The“depict”strategy for discovering new compounds in complex matrices:Lycibarbarspermidines as a case

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Journal of Pharmaceutical Analysis 2024年第3期14卷 416-426页

作者： Chen Han Zhixin Zhang Zhiyang Feng Chuanjia Zhai Xuejiao Li Yulian Shi Xiang Li Miao Li Ying Wang Gan Luo Xiaoyan Gao Department of chinese Medicine Analysis School of Chinese Materia MedicaBeijing University of Chinese MedicineBeijing102488China

The comprehensive detection and identification of active ingredients in complex matrices is a crucial *** chromatography coupled with high-resolution mass spectrometry(LC-HRMS)is the most prominent analytical platform for the exploration of novel active compounds from complex ***,the LC-HRMS-based analysis workflow suffers from several bottleneck issues,such as trace content of target compounds,limited acquisition for fragment information,and uncertainty in interpreting relevant MS2 *** are vital antioxidant active ingredients in Lycii Fructus,while the reported structures are merely focused on dicaffeoylspermidines due to their low *** comprehensively detect the new structures of lycibarbarspermidine derivatives,a“depict”strategy was developed in this ***,potential new lycibarbarspermidine derivatives were designed according to the biosynthetic pathway,and a comprehensive database was established,which enlarged the coverage of lycibarbarspermidine ***,the polarity-oriented sample preparation of potential new compounds increased the concentration of the target ***,the construction of the molecular network based on the fragmentation pathway of lycibarbarspermidine derivatives broadened the comprehensiveness of ***,the weak response signals were captured by data-dependent scanning(DDA)followed by parallel reaction monitoring(PRM),and the efficiency of acquiring MS2 fragment ions of target compounds was significantly *** on the integrated strategy above,210 lycibarbarspermidine derivatives were detected and identified from Lycii Fructus,and in particular,170 potential new compounds were structurally *** integrated strategy improved the sensitivity of detection and the coverage of low-response components,and it is expected to be a promising pipeline for discovering new compounds.

关键词： Mass spectrometric detection Weak response signals Complex matrices Novel lycibarbarspermidines

Investigation of the active ingredients and mechanism of Shuangling extract in dextran sulfate sodium salt induced ulcerative colitis mice based on network pharmacology and experimental verification

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Journal of Traditional chinese Medicine 2024年第3期44卷 478-488页

作者： CHU Mengzhen WANG Yu LIN Zhijian Lyu Jintao ZHANG Xiaomeng ZHANG Bing Department of Clinical chinese Pharmacy School of Chinese Materia MedicaBeijing University of Chinese MedicineBeijing 102488China

OBJECTIVE: To explore the pharmacodynamic effects and potential mechanisms of Shuangling extract against ulcerative colitis(UC). METHODS: The bioinformatics method was used to predict the active ingredients and action targets of Shuangling extract against UC in mice. And the biological experiments such as serum biochemical indexes and histopathological staining were used to verify the pharmacological effect and mechanism of Shuangling extract against UC in mice. RESULTS: The Shuangling extract reduced the levels of seruminterleukin-1β(IL-1β), tumor necrosis factor-α(TNF-N), interleukin-6(IL-6) and other inflammatory factors in UC mice and inhibited the inflammatory response. AKT Serine/threonine Kinase 1 and IL-6 may be the main targets of the anti-UC action of Shuangling extract, and the TNF signaling pathway, Forkhead box O signaling pathway and T-cell receptor signaling pathway may be the main signaling pathways. CONCLUSION: The Shuangling extract could inhibit the inflammatory response induced by UC and regulate intestinal immune function through multiple targets and multiple channels, which provided a new option and theoretical basis for anti-UC.

关键词： colitis ulcerative pharmacodynamic study network pharmacology molecular docking simulation Shuangling extract

Comprehensive reutilization of herbal waste:Coproduction of magnolol,honokiol,and β-amyrin from Magnolia officinalis residue

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Green Energy & Environment 2024年第2期9卷 403-412页

作者： Lukun Xiao Anyi Zhao Jie Qiu An Liu Sha Chen Jinzhu Jiang Jun Zhang Cong Guo Jipeng Di Jintang Cheng Chang Chen Kangxin Hou Aiping Zhang Yan Liu Caixia Wang Institute of chinese materia medica China Academy of Chinese Medical SciencesBeijing100700China school of Pharmacy Shanxi Medical UniversityTaiyuan030001China

Herbal extraction residues(HERs)cause serious environmental pollution and resource *** this study,a novel green route was designed for the comprehensive reutilization of all components in HERs,taking Magnolia officinalis residues(MOR)as an *** reluctant structure of MOR was first destroyed by alkali pretreatment to release the functional ingredients(magnolol and honokiol)originally remaining in MOR and to make MOR more accessible for hydrolysis.A metal–organic frame material MIL-101(Cr)with a maximum absorption capacity of 255.64 mg g^(-1)was synthesized to absorb the released honokiol and magnolol from the pretreated MOR solutions,and 40 g L^(-1)reducing sugars were obtained with 81.8%enzymatic hydrolysis rate at 10%MOR solid ***,382 mg L-1β-amyrin was produced from MOR hydrolysates by an engineered yeast *** total,1 kg honokiol,8 kg magnolol,and 7.64 kg β-amyrin could produce from 1 ton MOR by this cleaner process with a total economic output of 170,700 RMB.

关键词： Magnolia officinalis residues(MOR) Comprehensive utilization Metal-organic frame material Biosynthesis

Picroside Ⅱ promotes HSC apoptosis and inhibits the cholestatic liver fibrosis in Mdr2^(−/−)mice by polarizing M1 macrophages and balancing immune responses

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chinese Journal of Natural Medicines 2024年第7期22卷 582-598页

作者： JIA Kexin MA Zhi ZHANG Yinhao XIE Kaihong LI Jianan WU Jianzhi QU Jiaorong LI Fanghong LI Xiaojiaoyang school of Life Sciences Beijing University of Chinese MedicineBeijing 100029China school of chinese materia medica Beijing University of Chinese MedicineBeijing 100029China

Liver fibrosis is characterized by chronic inflammatory responses and progressive fibrous scar *** play a central role in the pathogenesis of hepatic fibrosis by reconstructing the immune *** Ⅱ(PIC Ⅱ),extracted from Picrorhizae Rhizoma,has demonstrated therapeutic potential for various liver ***,the mechanisms by which macrophage polarization initiates immune cascades and contributes to the development of liver fibrosis,and whether this process can be influenced by PIC Ⅱ,remain *** the current study,RNA sequencing and multiple molecular approaches were utilized to explore the underlying mechanisms of PIC Ⅱ against liver fibrosis in multidrug-resistance protein 2 knockout(Mdr2^(−/−))*** findings indicate that PIC Ⅱ activates M1-polarized macrophages to recruit natural killer cells(NK cells),potentially via the CXCL16-CXCR6 ***,PIC Ⅱ promotes the apoptosis of activated hepatic stellate cells(aHSCs)and enhances the cytotoxic effects of NK cells,while also reducing the formation of neutrophil extracellular traps(NETs).Notably,the anti-hepatic fibrosis effects associated with PIC Ⅱ were largely reversed by macrophage depletion in Mdr2^(−/−)***,our research suggests that PIC Ⅱ is a potential candidate for halting the progression of liver fibrosis.

关键词： Liver fibrosis PicrosideⅡ M1 macrophage Hepatic stellate cell Natural killer cell Neutrophil

Jackknife Model Averaging for Composite Quantile Regression

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Journal of Systems Science & Complexity 2024年第4期37卷 1604-1637页

作者： YOU Kang WANG Miaomiao ZOU Guohua school of Mathematical Sciences Capital Normal UniversityBeijing 100089China school of chinese materia medica Beijing University of Chinese MedicineBeijing 100105China

In this paper,the authors propose a frequentist model averaging method for composite quantile regression with diverging number of *** from the traditional model averaging for quantile regression which considers only a single quantile,the proposed model averaging estimator is based on multiple *** well-known delete-one cross-validation or jackknife approach is applied to estimate the model *** resultant jackknife model averaging estimator is shown to be asymptotically optimal in terms of minimizing the out-of-sample composite final prediction *** studies are conducted to demonstrate the finite sample performance of the new model averaging *** proposed method is also applied to the analysis of the stock returns data and the wage data.

关键词： Asymptotic optimality composite quantile regression cross-validation model averaging

A proteomic landscape of pharmacologic perturbations for functional relevance

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Journal of Pharmaceutical Analysis 2024年第1期14卷 128-139页

作者： Zhiwei Liu Shangwen Jiang Bingbing Hao Shuyu Xie Yingluo Liu Yuqi Huang Heng Xu Cheng Luo Min Huang Minjia Tan Jun-Yu Xu State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai201203China school of chinese materia medica Nanjing University of Chinese MedicineNanjing210023China Zhongshan Institute for Drug Discovery Shanghai Institute of Materia MedicaChinese Academy of SciencesZhongshanGuangdong528400China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing210023China

Pharmacological perturbation studies based on protein-level signatures are fundamental for drug discovery. In the present study, we used a mass spectrometry (MS)-based proteomic platform to profile the whole proteome of the breast cancer MCF7 cell line under stress induced by 78 bioactive compounds. The integrated analysis of perturbed signal abundance revealed the connectivity between phenotypic behaviors and molecular features in cancer cells. Our data showed functional relevance in exploring the novel pharmacological activity of phenolic xanthohumol, as well as the noncanonical targets of clinically approved tamoxifen, lovastatin, and their derivatives. Furthermore, the rational design of synergistic inhibition using a combination of histone methyltransferase and topoisomerase was identified based on their complementary drug fingerprints. This study provides rich resources for the proteomic landscape of drug responses for precision therapeutic medicine.

关键词： Proteomics Drug Perturbation Drug target Drug combination

Neuroinflammation attenuation effects by celastrol and PDIA3 in the amygdala, hippocampus and dorsal raphe nucleus of obese mice

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Journal of Pharmaceutical Analysis 2024年第2期14卷 287-290页

作者： Chunyan Zhu Xuemin Yao Dandan Liu Guoxin Zhang Yongping Zhu Hongyu Chi Shuangpan Zhang Jun Yang Ying Liu Jigang Wang Na Lin Institute of chinese materia medica China Academy of Chinese Medical SciencesBeijing100700China

Nowadays,roughly 603.7 million people are bothered by obesity[1].More seriously,obesity brings inflammation to the peripheral and central nervous system,which compromises the comorbidity of obesity,major depression[2],and cognitive deficits[3].Drug competent in the comorbidity is still *** 2015,Liu et al.[4]reported celastrol(CEL)as a powerful anti-obesity *** our previous study.

关键词： inflammation obesity obese

Fangchinoline induces antiviral response by suppressing STING degradation

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Journal of Pharmaceutical Analysis 2024年第6期14卷 902-913页

作者： Jinyong Wang Fang Xie Xin Jia Xuejiao Wang Lingdong Kong Yiying Li b Xue Liang Meiqi Zhang Yuting He Wandi Feng Tong Luo Yao Wang Anlong Xu school of chinese materia medica Beijing University of Chinese MedicineBeijing100029China school of Life Science Beijing University of Chinese MedicineBeijing100029China Beijing Key Laboratory of Drug Target Identification and New Drug Screening Institute of Materia MedicaChinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing100050China

The stimulator of interferon genes(STING),an integral adaptor protein in the DNA-sensing pathway,plays a pivotal role in the innate immune response against ***,it presents a valuable therapeutic target for infectious diseases and *** observed that fangchinoline(Fan),a bis-benzylisoquinoline alkaloid(BBA),effectively impedes the replication of vesicular stomatitis virus(VSV),encephalomyocarditis virus(EMCV),influenza A virus(H1N1),and herpes simplex virus-1(HSV-1)in *** treatment significantly reduced the viral load,attenuated tissue inflammation,and improved survival in a viral sepsis mouse ***,Fan activates the antiviral response in a STING-dependent manner,leading to increased expression of interferon(IFN)and interferon-stimulated genes(ISGs)for potent antiviral effects in vivo and in ***,Fan interacts with STING,preventing its degradation and thereby extending the activation of IFN-based antiviral ***,our findings highlight the potential of Fan,which elicits antiviral immunity by suppressing STING degradation,as a promising candidate for antiviral therapy.

关键词： Fangchinoline Virus Type I interferons Stimulator of interferon genes Protein degradation