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A systems approach using OSMAC,Log P and NMR fingerprinting:An approach to novelty

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Synthetic and Systems Biotechnology 2017年第4期2卷 276-286页

作者： Miaomiao Liu Tanja Grkovic Xueting Liu jianying Han Lixin Zhang ronald j.quinn Griffith Institute for Drug Discovery Griffith UniversityBrisbaneQLD4111Australia Key Laboratory of Pathogenic Microbiology and Immunology Institute of MicrobiologyChinese Academy of SciencesBeijing100101China Graduate University of Chinese Academy of Sciences Beijing100049China

The growing number of sequenced microbial genomes has revealed a remarkably large number of secondary metabolite biosynthetic clusters for which the compounds are still *** aim of the present work was to apply a strategy to detect newly induced natural products by cultivating microorganisms in different fermentation *** metabolomic analysis of 4160 fractions generated from 13 actinomycetes under 32 different culture conditions was carried out by 1H NMR spectroscopy and multivariate *** principal component analysis(PCA)of the 1H NMR spectra showed a clear discrimination between those samples within PC1 and *** fractions with induced metabolites that are only produced under specific growth conditions was identified by PCA *** method allows an efficient differentiation within a large dataset with only one fractionation *** work demonstrates the potential of NMR spectroscopy in combination with metabolomic data analysis for the screening of large sets of fractions.

关键词： NMR fingerprints OSMAC Metabolites

Discovery of tanshinone derivatives with anti-MRSA activity via targeted bio-transformation

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Synthetic and Systems Biotechnology 2016年第3期1卷 187-194页

作者： Wenni He Miaomiao Liu Pei Huang Wael M.Abdel-Mageed jianying Han jeramie D.Watrous Don D.Nguyen Wenzhao Wang Fuhang Song Huanqin Dai jingyu Zhang ronald j.quinn Tanja Grkovi Houwei Luo Lixin Zhang Xueting Liu Key Laboratory of Pathogenic Microbiology and Immunology Institute of MicrobiologyChinese Academy of SciencesBeijing 100101China Department of Chemistry&Biochemistry University of California San DiegoLa JollaCA 92093United States Department of Pharmacognosy College of PharmacyKing Saud UniversityRiyadh 11451Saudi Arabia Department of Pharmacognosy Faculty of PharmacyAssiut UniversityAssiut 71526Egypt Department of Natural Products China Pharmaceutical UniversityNanjing 210009China Graduate University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Mycology Institute of MicrobiologyChinese Academy of SciencesBeijingChina Eskitis Institute Griffith UniversityBrisbaneQLD 4111Australia

Two potent anti-MRSA tanshinone glycosides(1 and 2)were discovered by targeted microbial biotransformation,along with rapid identification via MS/MS *** reactions including dehydrogenation,demethylations,reduction,glycosylation and methylation have been observed after incubation of tanshinone IIA and fungus Mucor rouxianus AS *** addition,tanshinosides B(2)showed potent activities against serial clinical isolates of oxacillin-resistant Staphylococcus aureus with MIC values of 0.78 mg/*** is the first study that shows a significant increase in the level and activities of tanshinone glycosides relative to the substrate tanshinone IIA.

关键词： Biotransformation Glycosylation Tanshinone IIA Mucor rouxianus

Identification of natural products as novel ligands for the human 5-HT2C receptor

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Biophysics Reports 2018年第1期4卷 50-61页

作者： Yao Peng Simeng Zhao Yiran Wu Haijie Cao Yueming Xu Xiaoyan Liu Wenqing Shui jianjun Cheng Suwen Zhao Ling Shen jun Ma ronald j.quinn Raymond C.Stevens Guisheng Zhong Zhi-jie Liu National Laboratory of Biomacromolecules Institute of BiophysicsChinese Academy of Sciences Institute of Molecular and Clinical Medicine Kunming Medical University iHuman Institute Shanghai Tech University University of Chinese Academy of Sciences School of Life Science and Technology Shanghai Tech University College of Pharmacy Nankai University High-throughput Molecular Drug Discovery Center Tianjin Joint Academy of Biotechnology and Medicine Eskitis Institute for Drug Discovery Griffith University

G protein-coupled receptors(GPCRs) constitute the largest human protein family with over 800 members,which are implicated in many important medical conditions. Serotonin receptors belong to the aminergic GPCR subfamily and play important roles in physiological and psychological activities. Structural biology studies have revealed the structures of many GPCRs in atomic details and provide the basis for the identification and investigation of the potential ligands, which interact with and modulate the ***, an integrative approach combining a focused target-specific natural compound library, a thermalshift-based screening method, affinity mass spectrometry, molecular docking, and in vitro as well as in vivo functional assay, was applied to identify(–)-crebanine and several other aporphine alkaloids as initial hits for a human serotonin receptor subtype, the 5-HT2Creceptor. Further studies illuminated key features of their binding affinity, downstream signaling and tissue reaction, providing a molecular explanation for the interaction between(–)-crebanine and human 5-HT2Creceptor.

关键词： GPCR 5-HT 2C receptor Natural product Alkaloids

Pseudoceramines A-D,new antibacterial bromotyrosine alkaloids from the marine sponge Pseudoceratina sp

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Pseudoceramines A-D,new antibacterial bromotyrosine alkaloid...

A hnRNPA2B1 agonist effectively inhibits HBV and SARS-CoV-2 omicron in vivo

2011年全国药物化学学术会议——药物的源头创新

作者：尹胜 Rohan A.Davis Todd Shelper Melissa L.Sykes Vicky M.Avery Mikael Elofsson Charlotta Sundin ronald j.quinn School of Pharmaceutical Sciences Sun Yat-Sen University Eskitis Institute Griffith UniversityBrisbaneQLD 4111Australia Laboratories for Chemical Biology Umea Umea Centre for Microbial ResearchLaboratories for Molecular Infection Medicine Sweden and Department of ChemistryUmea UniversitySE-90187 UmeaSweden

Bioassay guided fractionation of the CHCI/MeOH extract of Australian marine sponge Pseudoceratina *** in the purification of four new bromotyrosine alkaloids, pseudoceramines A-D(1-4),along with a known natural produc... 详细信息

关键词： sponge Pseudoceratina sp. bromotyrosine alkaloids antibiotics

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Protein & Cell 2023年第1期14卷 37-50页

作者： Daming Zuo Yu Chen jian-piaoCai Hao-Yang Yuan jun-Qi Wu Yue Yin jing-Wen Xie jing-Min Lin jia Luo Yang Feng Long-jiao Ge jia Zhou ronald jquinn San-jun Zhao Xing Tong Dong-Yan jin Shuofeng Yuan Shao-Xing Dai Min Xu Center for Pharmaceutical Sciences Faculty of Life Science and TechnologyKunming University of Science and TechnologyKunming 650500China Department of Medical Laboratory School of Laboratory Medicine and BiotechnologySouthern Medical UniversityGuangzhou 510515China State Key Laboratory of Primate Biomedical Research Institute of Primate Translational MedicineKunming University of Science and TechnologyKunming 650500China Department of Microbiology Li Ka Shing Faculty of MedicineThe University of Hong KongHong Kong 999077China Department of Immunology School of Basic Medical SciencesSouthern Medical UniversityGuangzhou 510515China Griffith Institute for Drug Discovery Griffith UniversityBrisbane 4111Australia School of Life Sciences Yunnan Normal UniversityKunming 650500China School of Biomedical Sciences Li Ka Shing Faculty of MedicineThe University of Hong KongHong Kong 999077China Microbiome Medicine Center Department of Laboratory medicineZhujiang HospitalSouthern Medical UniversityGuangzhou 510515China

The twenty-first century has already recorded more than ten major epidemics or pandemics of viral disease,including the devastating *** effective antivirals with broad-spectrum coverage are urgently ***,we reported a novel broad-spectrum antiviral compound *** administration of PAC5 eliminated HBV cccDNA and reduced the large antigen load in distinct mouse models of HBV ***,oral administration of PAC5 in a hamster model of SARS-CoV-2 omicron(BA.1)infection significantly decreases viral loads and attenuates lung ***,PAC5 binds to a pocket near Asp49 in the RNA recognition motif of ***5-bound hnRNPA2B1 is extensively activated and translocated to the cytoplasm where it initiates the TBK1-IRF3 pathway,leading to the production of type I IFNs with antiviral *** results indicate that PAC5 is a novel small-molecule agonist of hnRNPA2B1,which may have a role in dealing with emerging infectious diseases now and in the future.

关键词： hnRNPA2B1 PAC5 HBV SARS-CoV-2 omicron TBK1-IRF3 pathway type I IFNs

Identific tion of quantitative trait loci and associated candidate genes for pregnancy success in Angus–Brahman crossbred heifers

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journal of Animal Science and Biotechnology 2024年第1期15卷 162-170页

作者： quinn A.Hoorn Gabriel A.Zayas Eduardo E.Rodriguez Laura M.jensen Raluca G.Mateescu Peter j.Hansen Department of Animal Sciences Donald Henry Barron Reproductive and Perinatal Biology Research Programand the Genetics InstituteUniversity of FloridaGainesvilleFLUSA School of Applied Systems Biology La Trobe UniversityBundooraVIC 3083Australia

Background In beef cattle, more than 50% of the energy input to produce a unit of beef is consumed by the female that produced the calf. Development of genomic tools to identify females with high genetic merit for reproductive function could increase the profitability and sustainability of beef *** Genome-wide association studies(GWAS) were performed using a single-step genomic best linear unbiased prediction approach on pregnancy outcome traits from a population of Angus–Brahman crossbred heifers. Furthermore, a validation GWAS was performed using data from another farm. Heifers were genotyped with the Bovine GGP F250 array that contains 221,077 SNPs. In the discovery population, heifers were bred in winter breeding seasons involving a single round of timed artificial insemination(AI) followed by natural mating for 3 months. Two phenotypes were analyzed: pregnancy outcome to first-service AI(PAI;n = 1,481) and pregnancy status at the end of the breeding season(PEBS;n = 1,725). The heritability was estimated as 0.149 and 0.122 for PAI and PEBS, respectively. In the PAI model, one quantitative trait locus(QTL), located between 52.3 and 52.5 Mb on BTA7, explained about 3% of the genetic variation, in a region containing a cluster of γ-protocadherin genes and SLC25A2. Other QTLs explaining between 0.5% and 1% of the genetic variation were found on BTA12 and 25. In the PEBS model, a large QTL on BTA7 was synonymous with the QTL for PAI, with minor QTLs located on BTA5, 9, 10, 11, 19, and 20. The validation population for pregnancy status at the end of the breeding season were Angus–Brahman crossbred heifers bred by natural mating. In concordance with the discovery population, the large QTL on BTA7 and QTLs on BTA10 and 12 were *** In summary, QTLs and candidate SNPs identified were associated with pregnancy outcomes in beef heifers, including a large QTL associated with a group of protocadherin genes. Confirmation of these associations

关键词： Beef cattle Fertility GWAS QTL

The secondary injury cascade after spinal cord injury:an analysis of local cytokine/chemokine regulation

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Neural Regeneration Research 2024年第6期19卷 1308-1317页

作者： Daniel j.Hellenbrand Charles M.quinn Zachariah j.Piper Ryan T.Elder Raveena R.Mishra Taylor L.Marti Phoebe M.Omuro Rylie M.Roddick jae Sung Lee William L.Murphy Amgad S.Hanna Department of Neurosurgery University of Wisconsin-Madison School of Medicine and Public HealthMadisonWIUSA Department of Biomedical Engineering University of Wisconsin-MadisonMadisonWIUSA Department of Orthopedics and Rehabilitation University of Wisconsin-MadisonMadisonWIUSA Department of Materials Science and Engineering University of Wisconsin-MadisonMadisonWIUSA Forward BIO Institute University of Wisconsin-MadisonMadisonWIUSA

After spinal cord injury,there is an extensive infiltration of immune cells,which exacerbates the injury and leads to further neural ***,a major aim of current research involves targeting the immune response as a treatment for spinal cord *** much research has been performed analyzing the complex inflammatory process following spinal cord injury,there remain major discrepancies within previous literature regarding the timeline of local cytokine *** objectives of this study were to establish an overview of the timeline of cytokine regulation for 2 weeks after spinal cord injury,identify sexual dimorphisms in terms of cytokine levels,and determine local cytokines that significantly change based on the severity of spinal cord *** were inflicted with either a mild contusion,moderate contusion,severe contusion,or complete transection,7 mm of spinal cord centered on the injury was harvested at varying times post-injury,and tissue homogenates were analyzed with a Cytokine/Chemokine 27-Plex *** demonstrated pro-inflammatory cytokines including tumor necrosis factorα,interleukin-1β,and interleukin-6 were all upregulated after spinal cord injury,but returned to uninjured levels within approximately 24 hours post-injury,while chemokines including monocyte chemoattractant protein-1 remained upregulated for days *** contrast,several anti-inflammatory cytokines and growth factors including interleukin-10 and vascular endothelial growth factor were downregulated by 7 days *** spinal cord injury,tissue inhibitor of metalloproteinase-1,which specifically affects astrocytes involved in glial scar development,increased more than all other cytokines tested,reaching 26.9-fold higher than uninjured *** a mild injury,11 cytokines demonstrated sexual dimorphisms;however,after a severe contusion only leptin levels were different between female and male *** conclusion,pro-inflammatory cytokines in

关键词： astrocytes chemokines cytokines inflammation macrophages microglia secondary damage spinal cord injury

Why ecosystem characteristics predicted from remotely sensed data are unbiased and biased at the same time-and how this affects applications

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Forest Ecosystems 2024年第1期11卷 24-31页

作者： Goran Ståhl Terje Gobakken Svetlana Saarela Henrik j.Persson Magnus Ekstrom Sean P.Healey Zhiqiang Yang johan Holmgren Eva Lindberg Kenneth Nystrom Emanuele Papucci Patrik Ulvdal Hans OleØrka Erik Næsset Zhengyang Hou Håkan Olsson ronald E.McRoberts Department of Forest Resource Management Swedish University of Agricultural Sciences90183UmeåSweden Faculty of Environmental Sciences and Natural Resource Management Norwegian University of Life SciencesÅsNorway USDA Forest Service Rocky Mountain Research StationOgdenUTUSA The Key Laboratory for Silviculture and Conservation of Ministry of Education Beijing Forestry UniversityBeijing100083China Department of Forest Resources University of MinnesotaSt.PaulMNUSA

Remotely sensed data are frequently used for predicting and mapping ecosystem characteristics,and spatially explicit wall-to-wall information is sometimes proposed as the best possible source of information for ***,wall-to-wall information typically relies on model-based prediction,and several features of model-based prediction should be understood before extensively relying on this type of *** such feature is that model-based predictors can be considered both unbiased and biased at the same time,which has important implications in several areas of *** this discussion paper,we first describe the conventional model-unbiasedness paradigm that underpins most prediction techniques using remotely sensed(or other)auxiliary *** this point of view,model-based predictors are typically ***,we show that for specific domains,identified based on their true values,the same model-based predictors can be considered biased,and sometimes severely *** suggest distinguishing between conventional model-bias,defined in the statistical literature as the difference between the expected value of a predictor and the expected value of the quantity being predicted,and design-bias of model-based estimators,defined as the difference between the expected value of a model-based estimator and the true value of the quantity being *** show that model-based estimators(or predictors)are typically design-biased,and that there is a trend in the design-bias from overestimating small true values to underestimating large true ***,we give examples of applications where this is important to acknowledge and to potentially make adjustments to correct for the design-bias *** argue that relying entirely on conventional model-unbiasedness may lead to mistakes in several areas of application that use predictions from remotely sensed data.

关键词： Bias Model-based inference Design-based inference

日本血吸虫可溶性虫卵抗原等电点组分的特性分析(英文)

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中国寄生虫学与寄生虫病杂志 1994年第1期12卷 13-19页

作者：朱荫昌 Donald A.Harn john j.quinn 江苏省寄生虫病防治研究所哈佛公共卫生学院

应用等电聚焦技术将日本血吸虫可溶性虫卵抗原（ＳＥＡ）分为２０个不同等电点（ｐＩ）的组分（等电点范围为１．８６—１１．４０），测定其各组分的体液与细胞免疫反应及体外诱发肉芽肿形成反应。结果表明等电点酸性区的组分（ｐＩ３... 详细信息

应用等电聚焦技术将日本血吸虫可溶性虫卵抗原（ＳＥＡ）分为２０个不同等电点（ｐＩ）的组分（等电点范围为１．８６—１１．４０），测定其各组分的体液与细胞免疫反应及体外诱发肉芽肿形成反应。结果表明等电点酸性区的组分（ｐＩ３．７８－５．５４）在日本血吸虫肉芽肿形成中可能起重要的作用；抗体，在感染的早期（５ｗｋ）也与肉芽肿的调节有关。

关键词：血吸虫虫卵抗原 SEA 等电点