The zinc 3-hydroxy-2-mercaptopyridine complex was prepared by self-assemby reaction of Zn(NO3)2 and 3-hydroxy-2-mercaptopyridine (hmp). Single-crystal X-ray diffraction analysis indicates that it crystallizes in a tet...The zinc 3-hydroxy-2-mercaptopyridine complex was prepared by self-assemby reaction of Zn(NO3)2 and 3-hydroxy-2-mercaptopyridine (hmp). Single-crystal X-ray diffraction analysis indicates that it crystallizes in a tetragonal system, space group (No. 122) with a = 13.4562(6), c = 13.6860(8) , V = 2478.1(2) 3, Z = 8, Mr = 317.67, Dc = 1.703 g/cm3, m(Mo-Ka) = 2.308 mm-1 and F(000) = 1280. R = 0.0289 and wR = 0.0676 for 1040 observed reflections (I > 2s(I)). The crystal structure consists of a neutral molecule with a distorted tetrahedral cis-ZnS2O2 core, in which the mononuclear Zn2+ ion is coordinated by two O and two S atoms from two hmp ligands with the average bond distances of 2.301(1) ?for ZnS and 1.986(3) ?for ZnO. The 1H . NMR and IR spectra of the compound are discussed.展开更多
目的采用网络药理学与分子对接技术探讨生脉注射液的活性成分和治疗新型冠状病毒肺炎(COVID-19)的潜在作用机制。方法利用TCMSP及BATMAN-TCM数据库筛选生脉注射液的活性化合物,通过TCMSP及Targetnet在线数据库预测作用靶点,通过Cytoscap...目的采用网络药理学与分子对接技术探讨生脉注射液的活性成分和治疗新型冠状病毒肺炎(COVID-19)的潜在作用机制。方法利用TCMSP及BATMAN-TCM数据库筛选生脉注射液的活性化合物,通过TCMSP及Targetnet在线数据库预测作用靶点,通过Cytoscape3.7.1构建活性成分-作用靶点网络图;在GeneCards及OMIM数据库中以"coronavirus pneumonia"为关键词搜索冠状病毒肺炎相关疾病靶点,与生脉注射液化合物靶点进行交集筛选出共同靶点作为研究靶点,将共同靶点导入STRING数据库获取数据后在Cytoscape 3.7.1软件中构建蛋白质-蛋白质相互作用网络图;利用R语言进行GO(gene ontology)功能、KEGG(Kyoto encyclopedia of genes and genomes)通路富集分析,预测其作用机制,并构建"成分-靶点-通路"网络图;通过DiscoveryStudio 2.5软件对关键靶点进行分子对接分析。结果生脉注射液筛选得到22个活性化合物,分别为邻苯二甲酸二辛酯、β-谷甾醇、当归酰基戈米辛O、戈米辛A、戈米辛R、五味子丙素、内南五味子酯乙、长南酸、南五味子内酯、香蒲木脂素B、新杜松烷酸A、新杜松烷酸B、新杜松烷酸C、新南五味子木脂宁、五味子内酯A、五味子内酯E、五味子酸、尿苷、薯蓣皂苷元、鸟嘌呤核苷、N-反式阿魏酰酪胺、豆甾醇。相应作用靶点224个,与COVID-19的共同靶点16个,分别为CASP3、CASP8、PTGS2、BCL2、BAX、PRKCA、PTGS1、PIK3CG、F10、NOS3、DPP4、NOS2、TLR9、ACE、ICAM1、PRKCE,关键靶点涉及CASP3、PTGS2、NOS2、NOS3、ICAM1。GO功能富集分析得到生物过程(BP)条目771个,细胞组成(CC)条目11个,分子功能(MF)条目79个。KEGG通路富集分析筛选得到67条(P<0.05)信号通路,主要涉及糖尿病并发症AGE-RAGE信号通路、凋亡通路、P53信号通路、小细胞肺癌通路等。分子对接结果显示与关键靶点对接较好的成分有五味子内酯E、豆甾醇、N-反式阿魏酰酪胺。结论生脉注射�展开更多
Background:Small RNAs(sRNAs)extensively mediate gene-specific chromatin regulation in lower organisms.As a dominant type of functional sRNAs in mature mammals,microRNAs mainly regulate gene expression at posttranscrip...Background:Small RNAs(sRNAs)extensively mediate gene-specific chromatin regulation in lower organisms.As a dominant type of functional sRNAs in mature mammals,microRNAs mainly regulate gene expression at posttranscription level in the cytoplasm.Currently,whether there exists a type of nuclear-localized sRNAs mediating gene-specific epigenetic regulation in mature mammalian cells remains largely unclear.Here,we profiled sRNAs enriched in the nucleus and investigated their function in mediating genespecific epigenetic regulation in anti-tumor immunity.Methods:We established cytoplasmic and nuclear transcriptomes of sRNAs of dendritic cells(DCs)using high-throughput sequencing.Transcription abundances of sRNAs and mRNAs were analyzed by reverse transcriptionquantitative polymerase chain reaction(RT-qPCR)assay.The associations between sRNAs and Argonaute(AGO)proteins were detected by RNA immunoprecipitation analysis.Synthesized sRNAs and locked nucleic acid(LNA)-modified sRNA inhibitors were used to screen the function of sRNAs in innate immune cells.The effect of sRNA on the enrichment of either chromatin remodeler or histone modification at the gene promoter was analyzed by chromatin immunoprecipitation(ChIP)-qPCR assay.Chromatin accessibility qPCR assay was used to detect the accessibility of gene promoters.A B16 melanomabearing mouse model was established to determine the function of sRNAs in tumor-associated macrophages(TAMs)and their effect on tumor growth.Results:We identified a new class of nucleus-localized sRNAs,named snRNA/snoRNA-derived nuclear RNAs(sdnRNAs).Some sdnRNAs were Dicerindependent and had no association with Argonaute proteins.sdnRNA-3,the most abundant Dicer-independent sdnRNAs identified in our analysis,was selected as a representative to examine the biological function of sdnRNAs.sdnRNA-3 selectively inhibited the transcription of Nos2 in macrophages during innate immune response by repressing the chromatin accessibility at Nos2 gene promoter.sdnRNA-3 promoted the enrichments of repressive 展开更多
基金the Innovative Project (No. IP01007)the Introduction of Overseas Elitists Program (No. IB990168) of the Chinese Academy of Sciences
文摘The zinc 3-hydroxy-2-mercaptopyridine complex was prepared by self-assemby reaction of Zn(NO3)2 and 3-hydroxy-2-mercaptopyridine (hmp). Single-crystal X-ray diffraction analysis indicates that it crystallizes in a tetragonal system, space group (No. 122) with a = 13.4562(6), c = 13.6860(8) , V = 2478.1(2) 3, Z = 8, Mr = 317.67, Dc = 1.703 g/cm3, m(Mo-Ka) = 2.308 mm-1 and F(000) = 1280. R = 0.0289 and wR = 0.0676 for 1040 observed reflections (I > 2s(I)). The crystal structure consists of a neutral molecule with a distorted tetrahedral cis-ZnS2O2 core, in which the mononuclear Zn2+ ion is coordinated by two O and two S atoms from two hmp ligands with the average bond distances of 2.301(1) ?for ZnS and 1.986(3) ?for ZnO. The 1H . NMR and IR spectra of the compound are discussed.
文摘目的采用网络药理学与分子对接技术探讨生脉注射液的活性成分和治疗新型冠状病毒肺炎(COVID-19)的潜在作用机制。方法利用TCMSP及BATMAN-TCM数据库筛选生脉注射液的活性化合物,通过TCMSP及Targetnet在线数据库预测作用靶点,通过Cytoscape3.7.1构建活性成分-作用靶点网络图;在GeneCards及OMIM数据库中以"coronavirus pneumonia"为关键词搜索冠状病毒肺炎相关疾病靶点,与生脉注射液化合物靶点进行交集筛选出共同靶点作为研究靶点,将共同靶点导入STRING数据库获取数据后在Cytoscape 3.7.1软件中构建蛋白质-蛋白质相互作用网络图;利用R语言进行GO(gene ontology)功能、KEGG(Kyoto encyclopedia of genes and genomes)通路富集分析,预测其作用机制,并构建"成分-靶点-通路"网络图;通过DiscoveryStudio 2.5软件对关键靶点进行分子对接分析。结果生脉注射液筛选得到22个活性化合物,分别为邻苯二甲酸二辛酯、β-谷甾醇、当归酰基戈米辛O、戈米辛A、戈米辛R、五味子丙素、内南五味子酯乙、长南酸、南五味子内酯、香蒲木脂素B、新杜松烷酸A、新杜松烷酸B、新杜松烷酸C、新南五味子木脂宁、五味子内酯A、五味子内酯E、五味子酸、尿苷、薯蓣皂苷元、鸟嘌呤核苷、N-反式阿魏酰酪胺、豆甾醇。相应作用靶点224个,与COVID-19的共同靶点16个,分别为CASP3、CASP8、PTGS2、BCL2、BAX、PRKCA、PTGS1、PIK3CG、F10、NOS3、DPP4、NOS2、TLR9、ACE、ICAM1、PRKCE,关键靶点涉及CASP3、PTGS2、NOS2、NOS3、ICAM1。GO功能富集分析得到生物过程(BP)条目771个,细胞组成(CC)条目11个,分子功能(MF)条目79个。KEGG通路富集分析筛选得到67条(P<0.05)信号通路,主要涉及糖尿病并发症AGE-RAGE信号通路、凋亡通路、P53信号通路、小细胞肺癌通路等。分子对接结果显示与关键靶点对接较好的成分有五味子内酯E、豆甾醇、N-反式阿魏酰酪胺。结论生脉注射�
基金This work was supported by the National Natural Science Foundation of China(81922032,31900660,81788101)the Young Elite Scientist Sponsorship Program by CAST(2018QNRC001).
文摘Background:Small RNAs(sRNAs)extensively mediate gene-specific chromatin regulation in lower organisms.As a dominant type of functional sRNAs in mature mammals,microRNAs mainly regulate gene expression at posttranscription level in the cytoplasm.Currently,whether there exists a type of nuclear-localized sRNAs mediating gene-specific epigenetic regulation in mature mammalian cells remains largely unclear.Here,we profiled sRNAs enriched in the nucleus and investigated their function in mediating genespecific epigenetic regulation in anti-tumor immunity.Methods:We established cytoplasmic and nuclear transcriptomes of sRNAs of dendritic cells(DCs)using high-throughput sequencing.Transcription abundances of sRNAs and mRNAs were analyzed by reverse transcriptionquantitative polymerase chain reaction(RT-qPCR)assay.The associations between sRNAs and Argonaute(AGO)proteins were detected by RNA immunoprecipitation analysis.Synthesized sRNAs and locked nucleic acid(LNA)-modified sRNA inhibitors were used to screen the function of sRNAs in innate immune cells.The effect of sRNA on the enrichment of either chromatin remodeler or histone modification at the gene promoter was analyzed by chromatin immunoprecipitation(ChIP)-qPCR assay.Chromatin accessibility qPCR assay was used to detect the accessibility of gene promoters.A B16 melanomabearing mouse model was established to determine the function of sRNAs in tumor-associated macrophages(TAMs)and their effect on tumor growth.Results:We identified a new class of nucleus-localized sRNAs,named snRNA/snoRNA-derived nuclear RNAs(sdnRNAs).Some sdnRNAs were Dicerindependent and had no association with Argonaute proteins.sdnRNA-3,the most abundant Dicer-independent sdnRNAs identified in our analysis,was selected as a representative to examine the biological function of sdnRNAs.sdnRNA-3 selectively inhibited the transcription of Nos2 in macrophages during innate immune response by repressing the chromatin accessibility at Nos2 gene promoter.sdnRNA-3 promoted the enrichments of repressive
