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第十一届全国化学生物学学术会议

作者： Fang Zhou Kang Ding Yiqing Zhou Yang Liu Youli Xiao suwen zhao Houchao Tao iHuman Institute ShanghaiTech University CAS Key Laboratory of Synthetic Biology Institute of Plant Physiology and EcologyShanghai Institutes for Biological SciencesChinese Academy of Sciences

An underside binding site was identified in the transmembrane domain of smoothened receptor(SMO) by a colocalization *** structurally complementary photoaffinity probes were designed by appending azide group at two ends of a known ligand *** on the comprehensive analysis of digestive MS data,the binding was determined which was further corroborated by docking and simulation *** key interactions include two pairs of hydrogen bonds,a stable cage involving several π-π interactions,and hydrophobic interaction between Allo-1 and its contacting *** results reveal the molecular base of Allo-1 binding and more importantly,the possible mechanism for its anti-drug resistance activity.

关键词： Smoothened receptor colocalization strategy binding site drug resistance

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Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y₁and P2Y₁₂ receptors

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SCIENTIFIC REPORTS 2018年第1期8卷 8084-8084页

作者： Liu, Xuyang Gao, Zhan-Guo Wu, Yiran Stevens, Raymond C. Jacobson, Kenneth A. zhao, suwen ShanghaiTech Univ iHuman Inst Shanghai 201210 Peoples R China ShanghaiTech Univ Sch Life Sci & Technol Shanghai 201210 Peoples R China Chinese Acad Sci Shanghai Inst Biol Sci CAS MPG Partner Inst Computat Biol Key Lab Computat Biol Shanghai 20031 Peoples R China Univ Chinese Acad Sci 19A Yuquan Rd Beijing 100049 Peoples R China NIDDK Mol Recognit Sect Lab Bioorgan Chem NIH Bethesda MD 20892 USA

Many hemorheologic Traditional Chinese Medicines (TCMs) that are widely-used clinically lack molecular mechanisms of action. We hypothesized that some of the active components of hemorheologic TCMs may function through targeting prothrombotic P2Y(1) and/or P2Y(12) receptors. The interactions between 253 antithrombotic compounds from TCM and these two G protein-coupled P2Y receptors were evaluated using virtual screening. Eleven highly ranked hits were further tested in radioligand binding and functional assays. Among these compounds, salvianolic acid A and C antagonized the activity of both P2Y(1 )and P2Y(12) receptors in the low mu M range, while salvianolic acid B antagonized the P2Y(12) receptor. These three salvianolic acids are the major active components of the broadly-used hemorheologic TCM Danshen (Salvia militorrhiza), the antithrombotic molecular mechanisms of which were largely unknown. Thus, the combination of virtual screening and experimental validation identified potential mechanisms of action of multicomponent drugs that are already employed clinically.

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A core epitope targeting antibody of SARS-CoV-2

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Protein & Cell 2023年第1期14卷 74-78页

作者： Simeng zhao Fengjiang Liu Shizhen Qiu Qiaoshuai Lan Yiran Wu Wei Xu Junzi Ke Jie Yang Xiaoyan Liu Kun Wang Hangtian Guo Shuai Xia Fangfang Zhang Jiabei Wang Xiaowen Hu Lu Lu Shibo Jiang suwen zhao Lianxin Liu Youhua Xie Xiuna Yang Haopeng Wang Guisheng Zhong iHuman Institute ShanghaiTech UniversityShanghai 201210China Shanghai Institute for Advanced Immunochemical Studies ShanghaiTech UniversityShanghai 201210China Innovative Center for Pathogen Research Guangzhou LaboratoryGuangzhou 510005China School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China Key Laboratory of Medical Molecular Virology(MOE/NHC/CAMS) School of Basic Medical Sciences and Biosafety Level 3 LaboratoryFudan UniversityShanghai 200032China Department of Hepatobiliary Surgery Anhui Province Key Laboratory of Hepatopancreatobiliary SurgeryThe First Affiliated Hospital of USTCDivision of Life Sciences and MedicineThe University of Science and Technology of ChinaHefei 230001China Department of Pulmonary and Critical Care Medicine Division of Life Sciences and MedicineThe First Affiliated Hospital of USTCThe University of Science and Technology of ChinaHefei 230026China Division of Life Sciences and Medicine The First Affiliated Hospital of USTCThe University of Sciences and Technology of ChinaHefei 230001China

Dear Editor,Tremendous efforts have been made globally to develop therapeutics and prophylactics against severe acute respiratory syndrome coronavirus-2(SARS-CoV-2)which has caused thousands of millions of infections and deaths worldwide.A series of potent neutralizing antibodies with defined epitopes targeting RBD have been recently identified with different ***,being an RNA virus,the instability of the SARS-CoV-2 genome results in numerous S-protein variants with altered viral phenotypes.

关键词： acute respiratory globally

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?406.4mm尾管悬挂技术在深水钻井中的应用

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石油钻采工艺 2015年第1期37卷 103-106页

作者：赵苏文黄小龙熊爱江赵德中海油能源发展股份有限公司工程技术深圳分公司广东深圳518606

针对深水钻井水下井口系统的表层套管尺寸限制后续套管层次的问题,介绍了?406.4 mm超大尺寸尾管悬挂技术以及与其对应的注水泥工艺。悬挂装置由承载环和配套的悬挂器组成,承载环最大外径508 mm,最小内径445.8 mm,出厂前预制在?508 mm套... 详细信息

针对深水钻井水下井口系统的表层套管尺寸限制后续套管层次的问题,介绍了?406.4 mm超大尺寸尾管悬挂技术以及与其对应的注水泥工艺。悬挂装置由承载环和配套的悬挂器组成,承载环最大外径508 mm,最小内径445.8 mm,出厂前预制在?508 mm套管上;配套的悬挂器上卡环坐入?508 mm套管承载环上的对应卡槽内,连接?406.4 mm尾管串。对作业过程中可能出现的一些问题进行了分析总结,提出了建议。该技术有助于优化井身结构,从而更好地应对复杂地层钻井难题,对今后类似井的作业具有很好的借鉴作用。

关键词：深水钻井井身结构尾管悬挂器井口头防喷器

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Structural and Functional Evaluation of Decellularized Jellyfish Matrices for Cell Culture and Wound Repair

SSRN

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SSRN 2022年

作者： zhao, Jie Yu, Wenjun Zhang, Qi Li, Xiaojing zhao, suwen Huang, Yongjie Li, Tao Li, Yang Shan, Hong Guangdong Provincial Key Laboratory of Biomedical Imaging Guangdong Provincial Engineering Research Center of Molecular Imaging The Fifth Affiliated Hospital Sun Yat-sen University Zhuhai519000 China Department of Radiology The Fifth Affiliated Hospital Sun Yat-sen University Zhuhai519000 China Cardiac Surgery and Structural Heart Disease Unit of Cardiovascular Center The Fifth Affiliated Hospital Sun Yat-sen University Zhuhai519000 China Department of Interventional Medicine The Fifth Affiliated Hospital Sun Yat-sen University Zhuhai519000 China

Extracellular matrices decellularized from marine animal tissues are emerging scaffolds in tissue engineering. Jellyfish tissues are suitable for making functional and safe decellularized matrices thanks to their simple structure, high water content, and low risk of pathogen transmission to humans. Jellyfish are one of the most prevalent marine animals, but their decellularized matrices remained largely undeveloped to date. Here we evaluated the structures and functions of the jellyfish (R. esculentum) matrices decellularized with seven different detergents. Scanning electron microscopy revealed that the decellularized matrices mostly retained the native microstructures, whereas only SDS and SNL distorted the matrices’ multilayered and fibrous architecture. The collagen hybridizing peptide fluorescence staining showed that SDS, SNL, Triton X-100, IGEPAL, and Tween-20 denatured the jellyfish collagen molecules to varying degrees while CHAPS and SD protected the collagen’s conformation. Importantly, we demonstrated that the decellularized jellyfish matrices supported the adhesion and proliferation of human dermal and corneal fibroblasts and mouse chondrocytes in vitro, and facilitated wound healing in vivo through reducing inflammation while promoting angiogenesis and tissue remodeling. Our collagen immunohistochemistry supported that the jellyfish’s primitive collagen has similarities to mammalian collagen types I, II, and IV, implying that their matrices could be utilized to engineer a variety of tissues. Taken together, our study demonstrated that the decellularized jellyfish matrices are an easy-to-prepare, biocompatible, and potentially versatile scaffold for regenerative medicine. © 2022, The Authors. All rights reserved.

关键词： Collagen

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基于分片聚合编码的云存储策略的研究

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南开大学学报（自然科学版） 2014年第2期47卷 1-8页

作者：邵秀丽许杨赵素文刘瑞琴南开大学计算机与控制工程学院天津300071 天津航海仪器研究所天津300131

针对HDFS采用的完全复制存储方案会占据较多的存储空间,且对数据的恶意窃取和攻击缺少防御措施,提出了基于分片聚合编码的HDFS数据存储策略,其中采用STAR码对数据进行编码处理,产生编码数据片,然后通过聚合操作将每个数据段中位置相同... 详细信息

针对HDFS采用的完全复制存储方案会占据较多的存储空间,且对数据的恶意窃取和攻击缺少防御措施,提出了基于分片聚合编码的HDFS数据存储策略,其中采用STAR码对数据进行编码处理,产生编码数据片,然后通过聚合操作将每个数据段中位置相同的数据片聚合组成一个存储数据块,实现了HDFS文件的存储.模拟实验表明基于分片聚合编码的文件存储策略相比原HDFS存储方案在数据分布方面更安全有效.

关键词： HDFS STAR码数据块解码编码

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H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity

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NATURE CHEMICAL BIOLOGY 2022年第9期18卷 972-+页

作者： Ai, Huasong Sun, Maoshen Liu, Aijun Sun, Zixian Liu, Tingting Cao, Lin Liang, Lujun Qu, Qian Li, Zichen Deng, Zhiheng Tong, Zebin Chu, Guochao Tian, Xiaolin Deng, Haiteng zhao, suwen Li, Jia-Bin Lou, Zhiyong Liu, Lei Tsinghua Univ Tsinghua Peking Joint Ctr Life Sci Dept Chem MOE Key Lab Bioorgan Phosphorus Chem & Chem Biol Beijing Peoples R China Tsinghua Univ Sch Life Sci MOE Key Lab Prot Sci Beijing Peoples R China Tsinghua Univ Sch Med Beijing Peoples R China Chinese Univ Hong Kong Sch Life & Hlth Sci Kobilka Inst Innovat Drug Discovery Shenzhen Guangdong Peoples R China ShanghaiTech Univ iHuman Inst Shanghai Peoples R China Nankai Univ Coll Life Sci State Key Lab Med Chem Biol Frontiers Sci Ctr Cell Response Tianjin Peoples R China Nankai Univ Coll Pharm Tianjin Peoples R China Tsinghua Univ Sch Life Sci MOE Key Lab Bioinformat Beijing Peoples R China ShanghaiTech Univ Sch Life Sci & Technol Shanghai Peoples R China Soochow Univ Coll Pharmaceut Sci Suzhou Peoples R China

Ubiquitination-dependent histone crosstalk plays critical roles in chromatin-associated processes and is highly associated with human diseases. Mechanism studies of the crosstalk have been of the central focus. Here our study on the crosstalk between H2BK34ub and Dot1L-catalyzed H3K79me suggests a novel mechanism of ubiquitination-induced nucleosome distortion to stimulate the activity of an enzyme. We determined the cryo-electron microscopy structures of Dot1L-H2BK34ub nucleosome complex and the H2BK34ub nucleosome alone. The structures reveal that H2BK34ub induces an almost identical orientation and binding pattern of Dot1L on nucleosome as H2BK12Oub, which positions Dot1L for the productive conformation through direct ubiquitin-enzyme contacts. However, H2BK34-anchored ubiquitin does not directly interact with Dot1L as occurs in the case of H2BK12Oub, but rather induces DNA and histone distortion around the modified site. Our findings establish the structural framework for understanding the H2BK34ub-H3K79me trans-crosstalk and highlight the diversity of mechanisms for histone ubiquitination to activate chromatin-modifying enzymes.

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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： 5-HT2C receptor Alkaloids GPCR Natural product

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Development of Yin-Yang Ligand for Cannabinoid Receptors

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SSRN 2022年

作者： Qiu, Yanli zhao, Yitian Hu, Tao Yang, Meifang Li, Fei Li, Cuixia Gu, Weiliang Yang, Xiaodi zhao, suwen Tao, Houchao Shanghai Frontiers Science Center of TCM Chemical Biology Innovation Research Institute of Traditional Chinese Medicine Shanghai University of Traditional Chinese Medicine Shanghai201203 China iHuman Institute ShanghaiTech University Shanghai201210 China School of Life Science and Technology ShanghaiTech University Shanghai201210 China Department of pharmacology School of Pharmacy Shanghai University of Traditional Chinese Medicine China

Cannabinoid receptors (CBs), including CB1 and CB2, are the key components of a lipid signaling endocannabinoid system (ECS). Development of synthetic cannabinoids has been attractive to modulate ECS functions. CB1 and CB2 are structurally closely related subtypes but with distinct functions. While most efforts focus on the development of selective ligands for single subtype to circumvent the undesired off-target effect, Yin-Yang ligands with opposite pharmacological activities simultaneously on two subtypes, offer unique therapeutic potential. Herein we report the development of a new Yin-Yang ligand which functions as an antagonist for CB1 and concurrently an agonist for CB2. We found that in the pyrazole-cored scaffold, the arm of N1-phenyl group could be a switch, modification of which yielded various ligands with distinct activities. As such, the ortho-morpholine substitution exerted the desired Yin-Yang bifunctionality which, based on the docking study and molecular dynamic simulation, was proposed to be resulted from the hydrogen bonding with S173 and S285 in CB1 and CB2, respectively. Our results demonstrated the feasibility of structure guided ligand evolution for challenging Yin-Yang ligand. © 2022, The Authors. All rights reserved.

关键词： Ligands

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Structures of the human cholecystokinin receptors bound to agonists and antagonists

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NATURE CHEMICAL BIOLOGY 2021年第12期17卷 1230-1237页

作者： Zhang, Xuefeng He, Chenglin Wang, Mu Zhou, Qingtong Yang, Dehua Zhu, Ya Feng, Wenbo Zhang, Hui Dai, Antao Chu, Xiaojing Wang, Jia Yang, Zhenlin Jiang, Yi Sensfuss, Ulrich Tan, Qiuxiang Han, Shuo Reedtz-Runge, Steffen Xu, H. Eric zhao, suwen Wang, Ming-Wei Wu, Beili zhao, Qiang Chinese Acad Sci Shanghai Inst Mat Med State Key Lab Drug Res Shanghai Peoples R China Chinese Acad Sci Shanghai Inst Mat Med CAS Key Lab Receptor Res Shanghai Peoples R China Univ Chinese Acad Sci Beijing Peoples R China Fudan Univ Sch Pharm Shanghai Peoples R China ShanghaiTech Univ Sch Life Sci & Technol Shanghai Peoples R China ShanghaiTech Univ iHuman Inst Shanghai Peoples R China Fudan Univ Sch Basic Med Sci Dept Pharmacol Shanghai Peoples R China Chinese Acad Sci Shanghai Inst Mat Med Natl Ctr Drug Screening Shanghai Peoples R China Novo Nordisk AS Malov Denmark Univ Chinese Acad Sci Hangzhou Inst Adv Study Sch Pharmaceut Sci & Technol Hangzhou Peoples R China Chinese Aacademy Sci Inst Drug Discovery Zhongshan Inst Drug Discovery Guangzhou Guangdong Peoples R China Chinese Aacademy Sci Inst Dev Zhongshan Inst Drug Discovery Guangzhou Guangdong Peoples R China

Cholecystokinin receptors, CCKAR and CCKBR, are important neurointestinal peptide hormone receptors and play a vital role in food intake and appetite regulation. Here, we report three crystal structures of the human CCKAR in complex with different ligands, including one peptide agonist and two small-molecule antagonists, as well as two cryo-electron microscopy structures of CCKBR-gastrin in complex with G(i2) and G(q), respectively. These structures reveal the recognition pattern of different ligand types and the molecular basis of peptide selectivity in the cholecystokinin receptor family. By comparing receptor structures in different conformational states, a stepwise activation process of cholecystokinin receptors is proposed. Combined with pharmacological data, our results provide atomic details for differential ligand recognition and receptor activation mechanisms. These insights will facilitate the discovery of potential therapeutics targeting cholecystokinin receptors.

关键词： Cell signalling G protein-coupled receptors Peptides X-ray crystallography Chemistry/Food Science general Biochemical Engineering Biochemistry Cell Biology Bioorganic Chemistry

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