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基于网络药理学与代谢组学和分子对接的整合药理学策略研究温胆汤治疗慢性阻塞性肺疾病的作用机制

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中国药学杂志 2024年第11期59卷 998-1010页

作者：牛旭东何溢琨何梓龙陈爱灵高文浩任腾飞朱珍珍汪芳任睿楠林松王天阳齐齐哈尔医学院基础医学院黑龙江齐齐哈尔161006 齐齐哈尔医学院药学院黑龙江齐齐哈尔161006 齐齐哈尔医学院基础医学院基础医学科研中心黑龙江齐齐哈尔161006 黑龙江省药食同源资源与代谢性疾病防治重点实验室黑龙江齐齐哈尔161006

目的探讨温胆汤治疗慢性阻塞性肺疾病(chronic obstructive pulmonary disease,COPD)的作用机制。方法首先,基于网络药理学方法,利用中药系统药理学数据库与分析平台(TCMSP)、Swiss Target Prediction和Metascape等数据库,揭示温胆汤治... 详细信息

目的探讨温胆汤治疗慢性阻塞性肺疾病(chronic obstructive pulmonary disease,COPD)的作用机制。方法首先,基于网络药理学方法,利用中药系统药理学数据库与分析平台(TCMSP)、Swiss Target Prediction和Metascape等数据库,揭示温胆汤治疗COPD的潜在机制;其次,采用代谢组学方法,研究温胆汤对COPD诱发内源性代谢物紊乱的干预作用;最后,借助MetScape算法,整合网络药理学与代谢组学研究结果,并采用分子模拟对接和分子生物学方法,深入研究温胆汤治疗COPD的作用机制。结果网络药理学结果揭示温胆汤的102个潜在活性成分及其治疗COPD的98个潜在靶点。进一步分析显示温胆汤的11个潜在药效物质,包括3-叔丁基己二酸、6-甲基姜辣二醇双乙酸酯和甘草异黄烷酮等可能通过调节脂质与动脉粥样硬化、环磷腺苷(cyclic adenosine monophosphate,cAMP)信号通路、磷脂酰肌醇3激酶-蛋白激酶B(phosphoinositide 3-kinase-protein kinase B,PI3K-Akt)信号通路和白介素17(interleukin-17,IL-17)信号通路等发挥疗效。另一方面代谢组学研究显示,丙二醇、N-乙酰神经氨酸、苏氨酸、原胆酸、2-氧异戊酸酯、乙酰磷酸、柠檬酸盐和异丁酸等9种内源性物质,可能是温胆汤治疗COPD的关键代谢物。最后整合分析显示,脂质代谢与氨基酸代谢可能是温胆汤治疗COPD的关键过程,黄嘌呤脱氢酶(xanthine dehydrogenase,XDH)、激酶插入区受体(kinase insert domain receptor,KDR)、磷酸二酯酶5A(phosphodiesterase 5A,PDE5A)、细胞色素P450家族2亚家族C成员9(cytochrome P450 family 2 subfamily C member 9,CYP2C9)和成员19(cytochrome P450 family 2 subfamily C member 19,CYP2C19)等同氧化和炎症相关的基因可能是温胆汤发挥治疗作用的关键靶点;并且结果显示温胆汤可有效改善COPD大鼠肺部充血、水肿和炎性细胞浸润等多种病理状态,显著降低COPD大鼠肺组织中白细胞介素-6(interleukin-6,IL-6)、肿瘤坏死因子α(tumor necrosis factor-α,TNF-α)含量和丙二醛(malonaldehyde,MDA)活性,提高超氧化物歧化酶(superoxide dismutase,SOD)活性;而且分子对接结果也揭示了潜在药效物质与核心靶点基因之间的关联性。结论基于代谢组学、网络药理学和分子对接的整合药理学研究表明温胆汤可能通过调控炎症反应、氧化应激、脂质代谢和氨基酸代谢等途径实现治疗COPD的作用。

关键词：温胆汤慢性阻塞性肺疾病网络药理学代谢组学分子对接炎症因子

Nitric oxide suppresses stomatal opening by inhibiting inward-rectifying K_(in)^+ channels in Arabidopsis guard cells

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Chinese Science Bulletin 2008年第14期53卷 2156-2159页

作者： XUE ShaoWu YANG Pin he yikun College of Life Science Capital Normal University Beijing 100037 China Institute of Molecular Science Chemical Biology and Molecular Engineering Laboratory of Ministry of Education Shanxi University Taiyuan 030006 China

We explore nitric oxide (NO) effect on K+in channels in Arabidopsis guard cells. We observed NO inhib- ited K+in currents when Ca2+ chelator EGTA (Ethylene glycol-bis(2-aminoethylether)-N,N,N′,N′-tetraacetic acid) was not added in the pipette solution; K+in currents were not sensitive to NO when cytosolic Ca2+ was chelated by EGTA. NO inhibited the Arabidopsis stomatal opening, but when EGTA was added in the bath solution, inhibition effect of NO on stomatal opening vanished. Thus, it implies that NO ele- vates cytosolic Ca2+ by activating plasma membrane Ca2+ channels firstly, then inactivates K+in chan- nels, resulting in stomatal opening suppressed subsequently.

关键词：氧化氮抑制作用 EGTA 化学反应

Targeted deletion of mouse Rad1 leads to deficient cellular DNA damage responses

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Protein & Cell 2011年第5期2卷 410-422页

作者： Chunbo Zhang Yuheng Liu Zhishang Hu Lili An yikun he Haiying Hang National Laboratory of Biomacromolecules and the Center for Computational and Systems BiologyInstitute of BiophysicsChinese Academy of SciencesBeijing 100101China College of Life Science Capital Normal UniversityBeijing 100037China Graduate School of the Chinese Academy of Sciences Beijing 100049China Current address:School of Pharmacy Faculty of MedicineThe Chinese University of Hong KongShatinHong KongChina

The Rad1 gene is evolutionarily conserved from yeast to *** fission yeast Schizosaccharomyces pombe Rad1 ortholog promotes cell survival against DNA damage and is required for G_(2)/M checkpoint *** this study,mouse embryonic stem(ES)cells with a targeted deletion of Mrad1,the mouse ortholog of this gene,were created to evaluate its function in mammalian ***1^(−/−)ES cells were highly sensitive to ultraviolet-light(UV light),hydroxyurea(HU)and gamma rays,and were defective in G_(2)/M as well as S/M *** data indicate that Mrad1 is required for repairing DNA lesions induced by UV-light,HU and gamma rays,and for mediating G_(2)/M and S/M checkpoint *** further demonstrated that Mrad1 plays an important role in homologous recombination repair(HRR)in ES cells,but a minor HRR role in differentiated mouse cells.

关键词： Rad1 DNA damage checkpoint signaling DNA repair homologous recombination repair

Target deletion of the AAA ATPase PpCDC48II in Physcomitrella patens results in freezing sensitivity after cold acclimation

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Science China(Life Sciences) 2012年第2期55卷 150-157页

作者： WANG Hui JIN Shuo CheN Xi GEN XuKe he yikun College of Life Science Capital Normal UniversityBeijing 100037China

CDC48 is a highly conserved protein in eukaryotes and belongs to the AAA (ATPase associated with a variety of cellular activities) superfamily. It can interact with many different co-factors and form protein complexes that play important roles in various cellular processes. According to the Physcomitrella patens database, one member of the ATPases, the cell cycle gene PpCDC48II, was cloned. PpCDC48II contains two typical ATPase modules and is highly homologous to AtCDC48A. PpCDC48II was up-regulated in mRNA levels after incubation at 0°C for 36 and 72 h. To further elucidate protein function, we disrupted the PpCDC48II gene by transforming P. patens with the corresponding linear genomic sequences. When treated to the same freezing stress, it was found that PpCDC48II knockout plants were less resistant to freezing treatment than wild type after acclimation. This suggested that PpCDC48II was an essential gene for low-temperature-induced freezing tolerance in P. patens cells.

关键词：小立碗藓 ATPase 冷驯化冻结 AAA 灵敏度蛋白质复合物 ATP酶活性

Operando investigation of particle re-entrainment mechanism in electrostatic capture process on the lab-on-a-chip

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Journal of Environmental Sciences 2024年第2期136卷 337-347页

作者： Yong Zhu yikun Zhang Xiaoyong Yang Shanlong Tao Mingxia Chen Wenfeng Shangguan Research Center for Combustion and Environmental Technology School of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai 200240China

Inhalable particle is a harmful air pollutant that causes a significant threat to people's health and ecological environments,which should be removed to purify air,but there exists limited removal efficiency due to particle ***,Operando observation system based on microscopic visualization method is developed to make in situ test of particle migration,deposition and re-entrainment characteristics on a lab-on-a-chip to achieve the investigation in micro-level *** deposition evolution of charged particles is recorded in electric field region intuitively,which confirms the fracture of particle chain occurs during the growth process of deposited *** captures the instantaneous process that a larger particle with micron size due to the coagulation of submicron particles fractures from main body of the particle chain for the first *** analysis of migration behavior of a single submicron particle near electrode surface demonstrates the direct influence of drag force on the fracture of particle *** work is the first-time visualization of dynamic process and mechanism elucidation of particle re-entrainment at the micron level,and the findings will provide the theory support for the particle re-entrainment mechanism and bring inspires of enhancing capture efficiency of inhalable particle.

关键词： Inhalable particle Re-entrainment mechanism Operando observation Lab-on-a-chip Capture efficiency

Recent advances and challenges of nitrogen/nitrate electro catalytic reduction to ammonia synthesis

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Frontiers in Energy 2024年第2期18卷 128-140页

作者： Junwen CAO yikun HU Yun ZheNG Wenqiang ZHANG Bo YU Institute of Nuclear and New Energy Technology(INET) Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing 100084China Department of Chemical Engineering University of WaterlooWaterlooOntario N2L 3G1Canada Institute of New Energy Materials and Engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China

The Haber-Bosch process is the most widely used synthetic ammonia technology at *** its invention,it has provided an important guarantee for global food ***,the traditional Haber-Bosch ammonia synthesis process consumes a lot of energy and causes serious environmental *** the serious pressure of energy and environment,a green,clean,and sustainable ammonia synthesis route is urgently *** synthesis of ammonia is a green and mild new method for preparing ammonia,which can directly convert nitrogen or nitrate into ammonia using electricity driven by solar,wind,or water energy,without greenhouse gas and toxic gas ***,the basic mechanism of the nitrogen reduction reaction(NRR)to ammonia and nitrate reduction reaction(NO_(3)^(-))to ammonia were *** representative approaches and major technologies,such as lithium mediated electrolysis and solid oxide electrolysis cell(SOEC)electrolysis for NRR,high activity catalyst and advanced electrochemical device fabrication for(NO_(3)^(-))RR and electrochemical ammonia synthesis were *** on the above discussion and analysis,the main challenges and development directions for electrochemical ammonia synthesis were further proposed.

关键词： electrochemical ammonia synthesis nitrogen nitrate nitrogen reduction reaction(NRR)to ammonia nitrate reduction reaction(NO_(3)^(-))RR

Clinical and genetic heterogeneity of adult polyglucosan body disease caused by GBE1 biallelic mutations in China

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Genes & Diseases 2024年第5期11卷 17-20页

作者： yikun Chen Yan Shi Yuan Gao Yan Hu Linying Zhou Jingmei Hong Shirui Gan Xiang Lin Wanjin Chen Guorong Xu Jin he Department of Neurology and Institute of Neurology of First Affiliated Hospital Institute of Neuroscienceand Fujian Key Laboratory of Molecular NeurologyFujian Medical UniversityFuzhouFujian 350005China Fujian Key Laboratory of Molecular Neurology Institute of NeuroscienceFujian Medical UniversityFuzhouFujian 350005China Electron Microscopy Lab of Public Technology Service Center Fujian Medical UniversityFuzhouFujian 350005China

Adult polyglucosan body disease(APBD)is a rare and highly heterogeneous glycogen storage disorder due to biallelic variants in GBE1.1 Typical APBD presentations include gait abnormalities with polyneuropathy,leukodystrophy,neurogenic bladder,and mild cognitive *** diagnosis of APBD encompasses a large spectrum of conditions including axonal and demyelinating sensorimotor polyneuropathy,progressive spastic paraparesis,and leukodystrophies.

关键词： GBE bladder diagnosis

PIF3 Is Involved in the Primary Root Growth Inhibition of Arabidopsis Induced by Nitric Oxide in the Light

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Molecular Plant 2014年第4期7卷 616-625页

作者： Sulan Bai Tao Yao Miaomiao Li Xiaomin Guo Yaochuan Zhang Shengwei Zhu yikun he College of Life Sciences Capital Normal University Beijing 100048 PR China Beijing Vocational College of Agriculture Beijing 102442 PR China Institute of Botany Chinese Academy of Sciences Beijing 100731 PR China

PHYTOCHROME INTERACTING FACTOR3 （PIF3） is an important component in the phytochrome signaling pathway and mediates plant responses to various environmental conditions. We found that PIF3 is involved in the inhibition of root growth of Arabidopsis thaliana seedlings induced by nitric oxide （NO） in light. Overexpression of PIF3 partially alleviated the inhibitory effect of NO on root growth, whereas the pif3-1 mutant displayed enhanced sensitivity to NO in terms of root growth. During phytochrome signaling, the photoreceptor PHYB mediates the degradation of PIF3. We found that the phyB-9 mutant had a similar phenotype to that of PIF3ox in terms of responsiveness to NO. Furthermore, NO treatment promoted the accumulation of PHYB, and thus reduced PIF3 content. Our results further show that the activity of PIF3 is regulated by the DELLA protein RGL3[RGA （repressor of gal-3） LIKE 3]. Therefore, we speculate that PIF3 lies downstream of PHYB and RGL3, and plays an important role in the inhibitory effect of NO on root growth of Arabidopsis seedlings in light.

关键词： nitric oxide PIF3 PHYB RGL3 root growth inhibition.

A Comprehensive Review on Mechanisms and Applications of Rare-Earth Based Perovskite Nanocrystals

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Chinese Journal of Chemistry 2024年第9期42卷 1032-1056页

作者： Xiaoshan Zhang yikun Wang Xiang Wu Feilong Wang Qiongrong Ou Shuyu Zhang Academy for Engineering and Technology Institute of Future LightingFudan UniversityShanghai 200433China School of Information Science and Technology Institute for Electric Light SourcesFudan UniversityShanghai 200433China

Rare earth(RE)ions,with abundant 4f energy level and unique electronic arrangement,are considered as substitutes for Pb^(2+)in perovskite nanocrystals(PNCs),allowing for partial or complete replacement of lead and minimizing environmental *** review provides a comprehensive overview of the characteristics of RE-doped PNCs,including up-conversion luminescence,down-conversion luminescence,and quantum confinement effects,***,RE doping has been found to effectively suppress defect formation,reduce nonradiative recombination,enhance photoluminescence quantum yield(PLQY),and even allow for controlling over the morphology of the *** review also highlights the recent advancements in lead-free RE-based perovskites,especially in the case of Eu-based perovskites(CsEuBr_(3) and CsEuCl_(3)).Furthermore,it briefly introduces the applications of PNCs in various fields,such as perovskite solar cells(PSCs),luminescent solar concentrators(LSCs),photodetectors(PDs),and light-emitting diodes(LEDs).A systematic discussion on the luminescence mechanisms of RE-doped PNCs and lead-free RE-based perovskites is provided,along with an outlook on future research *** ultimate goal of this review is to provide guidance for the development of RE-based perovskite optoelectronic devices.

关键词： Perovskite nanocrystals Rare earth Lead-free perovskite lon doping Rare earth-based perovskite nanocrystals