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Rapid identification and isolation of neuraminidase inhibitors from mockstrawberry(Duchesnea indica Andr.) based on ligand fishing combined with HR-ESI-Q-TOF-MS

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Acta Pharmaceutica Sinica B 2020年第10期10卷 1846-1855页

作者： Sifan Luo Linbo Guo Caimin Sheng Yumei Zhao Ling Chen Chufang Li Zhengjin Jiang Haiyan Tian Institute of Traditional Chinese Medicine and Natural Products College of PharmacyJinan UniversityGuangzhou 510632China Institute of Pharmaceutical Analysis College of PharmacyJinan UniversityGuangzhou 510632China The State Key Laboratory of Respiratory Disease and the 1st Affiliated Hospital of Guangzhou Medical University Guangzhou 510663China International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education(MOE) College of PharmacyJinan UniversityGuangzhou 510632China

Neuraminidase inhibitors(NAIs)are the mainstay antiviral drugs against influenza *** this study,a ligand fishing protocol was developed to screen NAIs using neuraminidase immobilized magnetic beads(NA-MB).After verifying the feasibility of NA-MB with an artificial mixture including NA inhibitors and non-inhibitors,the developed ligand fishing protocol was applied to screen NAIs from the crude extracts of Duchesnea indica ***-four NA binding compounds were identified from the normal butanol(n-BuOH)extract of *** as potential NAIs by high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry(HPLC-Q-TOF-MS)assisted with Compound Structure Identification(CSI):FingerID,including 12 ellagitannins,4 brevifolin derivatives,3 ellagic acid derivatives,and 4 *** them,9 compounds were isolated and tested for in vitro NA inhibitory activities against NA from Clostridium perfringens,and from oseltamivir sensitive and resistant influenza A virus *** results indicate that compound B23 has the NA inhibitory activities in both the oseltamivir sensitive and resistant viral NA,with half maximal inhibitory concentration(IC50)values of 197.9 and 125.4μmol/L,***,B23 can obviously reduce the replication of oseltamivir sensitive and resistant viruses in Madin-Darby canine kidney(MDCK)cells at the concentrations of 40 and 200μmol/L.

关键词： Neuraminidase inhibitors Duchesnea indica Andr. ligand fishing Magnetic beads HPLCe Q-TOF-MS Influenza A Virus

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Screening of xanthine oxidase inhibitory peptides by ligand fishing and molecular docking technology

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Food Bioscience 2022年第6期50卷 1653-1663页

作者： Fangchao Cui Liqing Xi Guiqin Zhao Dangfeng Wang Xiqian Tan Jianrong Li Tingting Li College of Food Science and Technology Bohai UniversityNational&Local Joint Engineering Research Center of StorageProcessing and Safety Control Technology for Fresh Agricultural and Aquatic ProductsJinzhouLiaoning121013China Key Laboratory of Biotechnology and Bioresources Utilization (Dalian Minzu University) Ministry of EducationDalianLiaoning116029China College of Food Science and Technology Jiangnan UniversityWuxiJiangsu214122China

Gout, as the second major metabolic disease after cardiovascular disease. Peptides have the advantages of natural and no side effects in the treatment and prevention of gout. This study aimed to screen xanthine oxidase (XOD) inhibitory peptides from Scophthalmus maximus protein as a drug basis for the treatment of gout. The specific results are as follows: Immobilization of xanthine oxidase 25.564 μg/mg by modified magnetic beads, and modified magnetic beads can be reused three times. Three decapeptides (FSLVHYAGTV, FTNEKLQQFF and WDDMEKIWHH) were screened, the IC50 were 3.741, 4.046 and 2.203 mg/mL. Circular dichroism and three-dimensional fluorescence spectra showed that the inhibitory peptide would change the helical structure of XOD and the internal hydrophobic environment. Molecular docking showed that the inhibitory effect of inhibitory peptides depends on the number of unique amino acid residues in the active center of XOD enzyme. In conclusion, this study provides a method for screening anti-gout peptides, which not only solves the problem of treating gout, but also realizes the high-value utilization of marine products. In addition, this method has substantial application value because of its low cost and simple operation.

关键词： ligand fishing Xanthine oxidase Inhibitory peptide Molecular docking High-value utilization

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ligand fishing from the extract of ethyl acetate of Limonium bicolor（Bunge） *** based on functionalized α-glucosidase magnetic beads

Ligand fishing from the extract of ethyl acetate of Limonium...

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中国化学会第十二届全国天然有机化学学术会议

作者： Li Ma Jian Chen Xiaoqin Ding Tunyu Jian Bingru Ren Institute of Botany Jiangsu Province and Chinese Academy of Sciences

Limonium bicolor（Bunge） *** is a perennial herb,which grows in a saline-alkali soil,mainly distributed in the northern China,such as the provinces of Hebei,Shanxi,Gansu,Ningxia,Inner *** a Traditional Chinese Medicine,*** has effectiveness of hemostatic and hematinic effects,eliminating stasist blood circulation,regulating menstruation,nourshing spleen,invigorating *** was found in previous studies that the extract of ethyl acetate showed potent inhibition on α-glucosidase,but it was not clear of the authentic effective ***-based protein assay was introduced to elucidate the *** beads with N-terminus-coupled α-glucosidase were synthesized and characterized for their *** fishing with the immobilized enzyme was optimized using an artificial test mixture consisting of caffeine,ferulic acid,and luteolin before fishing with the EtOAc crude extract of *** combination of ligand fishing and HPLC-HR-MS identified quercetin-3-O-β-D-glucoside,kaempferol-3-O-β-D-gluco-side,kaempferol,and quercetin as α-glucosidase inhibitory ligands in ***.

关键词： Limonium bicolor flavonoid ligand fishing Magnetic beads

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Fluorescent ligand fishing combination with in-situ imaging to screen Hsp 90 inhibitors from natural products based on microkernel-based mesoporous fluorescent nanoparticles

Fluorescent ligand fishing combination with in-situ imaging ...

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中国化学会第22届全国色谱学术报告会及仪器展览会

作者： Yue Hu Dong Zhu Nanjing University of Chinese Medicine

＜正＞Heat shock protein 90（Hsp 90）, an evolutionarily conserved molecular chaperone, can guide multiple proteins turnover, degradation and activity. In cancerous cells, oncoproteins are often overexpressed and/or mutated, and compared with other heat-related proteins, higher activity of Hsp 90 than normal cells participates in key processes oncogenesis such as maintenance of malignancy.

关键词： ligand fishing Hsp90 inhibitors In-situ imaging Natural products Mass spectrometry

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