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Anti-psoriasis molecular targets and active components discovery of Optimized Yinxieling Formula via affinity-purified strategy

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Chinese Journal of Natural Medicines 2024年第2期22卷 127-136页

作者： WANG Wei LIU Lijuan YANG Zhuo LU Chuanjian TU Pengfei ZHAO Ruizhi zeng kewu State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China State Key Laboratory of Dampness Syndrome of Chinese Medicine The Second Affiliated Hospital of Guangzhou University of Chinese MedicineGuangzhou 510006China

Psoriasis,a prevalent inherited skin condition,involves an inflammatory response as a key pathogenic *** Optimized Yinxieling Formula(OYF),rooted in traditional Chinese medicine,is extensively utilized in clinical settings to treat *** previous studies have demonstrated OYF’s significant anti-inflammatory effects in psoriasis,its potential molecular targets and active components remain *** study aimed to unveil the anti-psoriasis molecular targets and active components of *** findings indicated that OYF extract markedly reduced the production of several inflammatory mediators,including IL-23,nitric oxide,TNF-α,and IL-1β,in LPS-induced RAW264.7 *** synthesized OYF extract-crosslinked beads to isolate pharmacological targets from RAW264.7 lysates using an affinity purification strategy,known as Target *** enriched target proteins were subsequently identified via LC-MS/MS,followed by bioinformatics analysis to map the psoriasis-associated pathway-gene *** identified a total of 76 potential target proteins,which were highly associated with mRNA transcription *** particular,pathway-gene network analysis revealed that the IL-23 inflammatory pathway was involved in the anti-psoriasis effect of OYF *** further utilized a target protein-based affinity capture strategy,combined with LC-MS and SPR analysis,to globally screen OYF’s active components,focusing on the mRNA transcription regulator,fused in sarcoma(FUS).This process led to the identification of umbelliferone,vanillic acid,protocatechuic acid,gentisic acid,and echinacoside as key compounds targeting FUS to inhibit IL-23 ***,we formulated a compound cocktail(CpdC),which significantly reduced psoriasis area and severity index(PASI)scores and the expressions of IL-23 and Ki67 in an imiquimod(IMQ)-induced psoriasis mouse ***,our study elucidates the primary molecular targets and active components of OYF,offeri

关键词： Psoriasis Optimized Yinxieling Formula(OYF) FUS protein Molecular targets Affinity-purified strategy

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Enhanced optical imaging and fluorescent labeling for visualizing drug molecules within living organisms

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Acta Pharmaceutica Sinica B 2024年第6期14卷 2428-2446页

作者： Ting Sun Huanxin Zhao Luyao Hu Xintian Shao Zhiyuan Lu Yuli Wang Peixue Ling Yubo Li kewu zeng Qixin Chen School of Pharmaceutical Sciences National Key Laboratory of Advanced Drug Delivery SystemMedical Science and Technology Innovation CenterShandong First Medical University&Shandong Academy of Medical SciencesJinan 250062China Departments of Diagnostic Radiology SurgeryChemical and Biomolecular Engineeringand Biomedical EngineeringYong Loo Lin School of Medicine and College of Design and EngineeringNational University of SingaporeSingapore 119074Singapore Institute of Biochemical and Biotechnological Drugs School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China Key Laboratory of Biopharmaceuticals Postdoctoral Scientific Research WorkstationShandong Academy of Pharmaceutical ScienceJinan 250098China State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China School of Life Sciences Science and Technology Innovation CenterShandong First Medical University&Shandong Academy of Medical SciencesJinan 250062China School of Chinese Materia Medica Tianjin University of Traditional Chinese MedicineTianjin 301617China Tianjin Pharmaceutical DA REN TANG Group Corporation Limited Traditional Chinese Pharmacy Research Institute Tianjin 300457China Key Laboratory of Systems Bioengineering(Ministry of Education) School of Chemistry Engineering and TechnologyTianjin UniversityTianjin 300072China

The visualization of drugs in living systems has become key techniques in modern *** advancements in optical imaging technologies and molecular design strategies have revolutionized drug *** the subcellular level,super-resolution microscopy has allowed exploration of the molecular landscape within individual cells and the cellular response to *** beyond subcellular imaging,researchers have integrated multiple modes,like optical near-infrared II imaging,to study the complex spatiotemporal interactions between drugs and their *** combining these visualization approaches,researchers gain supplementary information on physiological parameters,metabolic activity,and tissue composition,leading to a comprehensive understanding of drug *** review focuses on cutting-edge technologies in drug visualization,particularly fluorescence imaging,and the main types of fluorescent molecules ***,we discuss current challenges and prospects in targeted drug research,emphasizing the importance of multidisciplinary cooperation in advancing drug *** the integration of advanced imaging technology and molecular design,drug visualization has the potential to redefine our understanding of pharmacology,enabling the analysis of drug micro-dynamics in subcellular environments from new perspectives and deepening pharmacological research to the levels of the cell and organelles.

关键词： Optical imaging Drug visualization Fluorophore labeling Therapeutics

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Author correction to‘Pharmacologically targeting molecular motor promotes mitochondrial fission for anti-cancer’[Acta Pharm Sin B 11(2021)1853–1866]

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Acta Pharmaceutica Sinica B 2024年第5期14卷 2358-2358页

作者： Yi Qian Meimei Zhao Qinghua Han Jingkang Wang Lixi Liao Heng Yang Dan Liu Pengfei Tu Hong Liang kewu zeng State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China Proteomics Laboratory Medical and Healthy Analytical CenterPeking University Health Science CenterBeijing 100191China

The authors regret that the representative images of tumor tissue staining for the intraperitoneal injection of J13 in the left panel of Fig.5E and G(Page 1862)were incorrect due to an inadvertent mistake of copying and pasting in the process of assembling figures with Adobe Photoshop *** our studies,at least three biological replicates were included in each treatment group and at least three images were taken for different fields of each *** corrected version of Fig.5E and G have been provided below,and the change did not affect the results and conclusions of this *** original data of these figures have been provided to the Editorial Office,and the corresponding authors or the Editorial Office can be contacted for original data access.

关键词： correction figures assembling

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基于成分配伍的中药复方研究策略

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中国科学：生命科学 2024年第5期54卷 911-924页

作者：张宏李奇璋刘爱芬曾克武丁显廷王博谦史建伍王成牛辛海量张磊淮北师范大学生命科学学院创新药物研究中心淮北235000 南通大学医学院南通226001 北京大学药学院天然药物及仿生药物全国重点实验室北京100191 上海交通大学生物医学工程学院个性化医学研究院癌基因及相关基因国家重点实验室上海200030 海军军医大学药学院上海200433

传统中药复方的功效已被长期临床实践所证实,但由于包含复杂的化学成分,其安全性、有效性和质量稳定性难以控制.组分中药尽管促进了中医药的发展,但仍然难以明确作用靶点及分子机制,无法清楚阐释方剂配伍理论的科学内涵.本文提出基于有... 详细信息

传统中药复方的功效已被长期临床实践所证实,但由于包含复杂的化学成分,其安全性、有效性和质量稳定性难以控制.组分中药尽管促进了中医药的发展,但仍然难以明确作用靶点及分子机制,无法清楚阐释方剂配伍理论的科学内涵.本文提出基于有效成分配伍的中药复方(成分中药)研究策略,涉及的关键技术主要包括:(ⅰ)入血/组织化学成分分析;(ⅱ)三维筛选模型构建;(ⅲ)作用靶点研究;(ⅳ)数据整合分析.成分中药既具有传统方剂协同增效减毒的优势,体现了配伍特色,同时又具有现代药物成分清楚的特点,能借助多学科技术明确各成分作用靶点及协同分子机制,从而可清楚阐释方剂配伍理论的科学内涵,是今后中药复方研究的必然发展趋势.该研究策略的提出对从方法学角度解决中医药原创理论的现代科学内涵阐述等重大前沿科学问题具有示范意义.

关键词：复方成分配伍策略科学内涵

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Schisandrol A protects AGEs-induced neuronal cells death by allosterically targeting ATP6V0d1 subunit of V-ATPase

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Acta Pharmaceutica Sinica B 2022年第10期12卷 3843-3860页

作者： Xiaoqing Zhou Shaoyang Zhao Tingting Liu Lu Yao Meimei Zhao Xiaoming Ye Xiaowen Zhang Qiang Guo Pengfei Tu kewu zeng State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China

Diabetes have been shown to cause progressive neuronal injury with pain and numbness via advanced glycation end-products(AGEs)-induced neuronal cell apoptosis;however, the valuable drug targets for diabetic neuropathy have been poorly reported so far. In this study, we discovered a natural small-molecule schisandrol A(SolA) with significant protective effect against AGEs-induced neuronal cell apoptosis. ATP6V0D1, a major subunit of vacuolar-type ATPase(V-ATPase) in lysosome was identified as a crucial cellular target of SolA. Moreover, SolA allosterically mediated ATP6V0D1 conformation via targeting a unique cysteine 335 residue to activate V-ATPase-dependent lysosomal ***, SolA-induced lysosome pH downregulation resulted in a mitochondrial-lysosomal crosstalk by selectively promoting mitochondrial BH3-only protein BIM degradation, thereby preserving mitochondrial homeostasis and neuronal cells survival. Collectively, our findings reveal ATP6V0D1 is a valuable pharmacological target for diabetes-associated neuronal injury via controlling lysosomal acidification, and also provide the first small-molecule template allosterically activating V-ATPase for preventing diabetic neuropathy.

关键词： Allosteric regulation Advanced glycation endproducts AGEs Lysosomal acidification Targets V-ATPase ATP6V0D1 Schisandrol A Diabetic neuropathy

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利用模式动物斑马鱼构建中药抗缺氧活性快速评价模型

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山东中医药大学学报 2024年第2期48卷 210-216页

作者：马智慧刘慧茹丛媛青韩欣颖王松松曾克武韩利文李正国山东中医药大学药学院山东济南250355 山东第一医科大学(山东省医学科学院)药学院(药物研究所) 山东济南250117 山东省济宁市食品药品检验检测研究院山东济宁272027

目的:利用模式动物斑马鱼构建适用于中药抗缺氧活性成分研究的快速评价模型。方法:实验选用AB品系斑马鱼,以红景天胶囊为阳性药,以亚硫酸钠为低氧剂,以斑马鱼缺氧后的神经运动行为作为评价指标,考察受精后发育至3 d、4 d、5 d的斑马鱼... 详细信息

目的:利用模式动物斑马鱼构建适用于中药抗缺氧活性成分研究的快速评价模型。方法:实验选用AB品系斑马鱼,以红景天胶囊为阳性药,以亚硫酸钠为低氧剂,以斑马鱼缺氧后的神经运动行为作为评价指标,考察受精后发育至3 d、4 d、5 d的斑马鱼幼鱼给药预处理开始时间和24 h、48 h、72 h药物预保护时间,建立斑马鱼幼鱼缺氧模型;基于优化的预处理时间及预保护时间,分别检测各组斑马鱼缺氧后的平均心率、脑组织细胞凋亡数量,进一步验证缺氧模型。结果:实验选用发育至5 d的斑马鱼,给药预保护时间48 h,以斑马鱼缺氧后不同阶段的神经运动行为为评价指标,建立缺氧模型。进一步模型评价发现,红景天胶囊预保护组明显增强了缺氧斑马鱼的平均心率,同时降低了由缺氧导致的脑组织细胞凋亡数量(P<0.01)。结论:亚硫酸钠造模后通过斑马鱼不同阶段的神经运动行为可快速评价中药样品的抗缺氧活性模型,为中药药效成分的筛选发现提供关键模型。

关键词：斑马鱼亚硫酸钠红景天胶囊神经运动行为抗缺氧活性成分运动速度与距离脑细胞凋亡

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Pharmacologically targeting molecular motor promotes mitochondrial fission for anti-cancer

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Acta Pharmaceutica Sinica B 2021年第7期11卷 1853-1866页

Mitochondrial shape rapidly changes by dynamic balance of fusion and fission to adjust to constantly changing energy demands of cancer *** dynamics balance is exactly regulated by molecular motor consisted of myosin and actin cytoskeleton ***,targeting myosin eactin molecular motor is considered as a promising strategy for *** this study,we performed a proof-of-concept study with a natural-derived small-molecule J13 to test the feasibility of anti-cancer therapeutics via pharmacologically targeting molecular ***,we found J13 could directly target myosin-9(MYH9)eactin molecular motor to promote mitochondrial fission progression,and markedly inhibited cancer cells survival,proliferation and *** study revealed that J13 impaired MYH9 eactin interaction to inactivate molecular motor,and caused a cytoskeleton-dependent mitochondrial dynamics ***,stable isotope labeling with amino acids in cell culture(SILAC)technology-coupled with pulldown analysis identified HSPA9 as a crucial adaptor protein connecting MYH9 eactin molecular motor to mitochondrial *** together,we reported the first natural small-molecule directly targeting MYH9 eactin molecular motor for anti-cancer translational ***,our study also proved the conceptual practicability of pharmacologically disrupting mitochondrial fission/fusion dynamics in human cancer therapy.

关键词： Anti-cancer Liver hepatocellular carcinoma Mitochondrial fission Small molecule Target identification Molecular motor MYH9 HSPA9

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Allosteric regulation of protein 14-3-3ζ scaffold by small-molecule editing modulates histone H3 post-translational modifications

Allosteric regulation of protein 14-3-3ζ scaffold by small-...

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第十一届全国化学生物学学术会议

作者： Liu Yang zeng kewu Tu Pengfei State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking University

Histone post-translational modifications(PTMs) act in various biological processes such as transcriptional activation,chromosome packaging and DNA *** this study,we identified a natural small-molecule protosappanin A(PTA) with a specific binding capacity for 14-3-3ζ.Mechanism study reveals 14-3-3ζ dimerization is a key pre-requirement for histone H3 PTMs,which can be dynamically induced via an allosteric effect,resulting in a selective inhibition of 14-3-3ζ dimer with histone *** effect modulates histone H3 PTMs by exposing specific modification sites including acetylation,trimethylation,and phosphorylation,and reprograms gene transcription profiles for autophagy-lysosome function and endoplasmic reticulum stress.

关键词： Histone post-translational modifications 14-3-3ζ allosteric effect PTA

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Natural Product Bufalin Blocks Hepatocellular Carcinoma Proliferation and Migration by Targeting Membrane Proteoglycan Syndecan-4

Natural Product Bufalin Blocks Hepatocellular Carcinoma Prol...

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第十一届全国化学生物学学术会议

作者： Heng Yang kewu zeng Pengfei Tu State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking University

Bufalin,a main components of traditional chinese medicine from toad venom,is widely used to treat a variety of cancers including hepatocellular *** the potential anti-hepatocellular carcinoma target and molecular mechanism of bufalin still remains unclear,which seriously hinders its clinical application and development. In this study,we investigate the effects and mechanisms of bufalin on inhibiting HepG2 cells migration and ***,we discover that bufalin could binding Syndecan-4 as a direct cellular target to prevent HepG2 cells proliferation,invasion and *** on quantitative proteomic with stable isotope labeling,we find that bufalin inhibited the proliferation and migration of HepG2 cells through regulating cell cycle,cell migration and expression of mitogen-activated protein kinase pathway-related ***,we reveal DDX23,a RNA helicase,as critical mediator of Syndecan-4 in regulating cell proliferation and migration signaling *** findings indicate that Syndecan-4 is a potential target for cancer treatment and provide insights into the pathogenesis of hepatocellular carcinoma.

关键词： bufalin hepatocellular carcinoma drug target Syndecan-4

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Study on Chemical Constituents of Notopterygium incisum

Study on Chemical Constituents of Notopterygium incisum

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中国化学会第十一届全国天然有机化学学术会议

作者： Xikang Zheng kewu zeng Yong Jiang Pengfei Tu State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking University Health Science Center

＜正＞Qiang *** dried roots and rhizomes of Notopterygium incisium and Notopterygium *** used in traditional Chinese medicine for treating the common cold and inflammatory diseases such as rheumatoid arthritis and as ...

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