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Molecular Modeling and Docking of Mannose-binding Lectin from Lycoris radiata

Chemical Research in Chinese Universities 2013年第6期29卷 1153-1158页

作者： zhu qian-kun zhu meng-li zou jia-xin feng pei-chun fan gao-tao liu zu-bi wang wan-jun School of life Science and Engineering Southwest Jiaotong University Chengdu 610031 P.R.China

Lycoris radiata mannose-binding lectin（LRL） is a protein which binds mannose residues specifically. The maturation peptide and three mannose-binding domains（residues 49-57, 80-88 and 113--121） of LRL were identified by sequence analysis. The 3D structure of LRL constructed by homology modeling shaped a flstular triangular prism. Three flanks of the prism are mainly composed of β-sheets and each flank has a mannose-binding domain. According to the docking and dynamics simulation, the bindings of residues 49--57 and 80--88 with mannose are more stable than that of residues 113--121 with it. The key residues for binding mannose are Gin80, Asp82, Ash84 and Tyr88. The study preliminarily analyzed the interaction sites and mechanism of LRL with mannoses, which could be useful for the study on insect-resistance and related drug discovery of LRL.

关键词： Mannose-binding lectin Lycoris radiata Molecular modeling Molecular docking Dynamics simulation

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CEPC Technical Design Report

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Radiation Detection Technology and Methods 2024年第1期8卷 I0003-I0016,1-1091页

作者： Waleed Abdallah Tiago Carlos Adorno de Freitas Konstantin Afanaciev Shakeel Ahmad Ijaz Ahmed Xiaocong Ai Abid Aleem Wolfgang Altmannshofer Fabio Alves Weiming An Rui An Daniele Paolo Anderle Stefan Antusch Yasuo Arai Andrej Arbuzov Abdesslam Arhrib Mustafa Ashry Sha Bai Yu Bai Yang Bai Vipul Bairathi Csaba Balazs Philip Bambade Yong Ban Tripamo Bandyopadhyay Shou-Shan Bao Desmond P.Barber Ayse Bat Varvara Batozskaya Subash Chandra Behera Alexander Belyaev Michele Bertucci Xiao-jun bi Yuanjie bi Tianjian bian Fabrizio bianchi Thomas biekotter Michela biglietti Shalva bilanishvili Deng binglin Denis Bodrov Anton Bogomyagkov Serge Bondarenko Stewart Boogert Maarten Boonekamp Marcello Borri Angelo Bosotti Vincent Boudry Mohammed Boukidi Igor Boyko Ivanka Bozovic Giuseppe Bozzi Jean-Claude Brient Anastasiia Budzinskaya Masroor Bukhari Vladimir Bytev Giacomo Cacciapaglia Hua Cai Wenyong Cai Wujun Cai Yijian Cai Yizhou Cai Yuchen Cai Haiying Cai Huacheng Cai Lorenzo Calibbi junsong Cang Guofu Cao jianshe Cao Antoine Chance Xuejun Chang Yue Chang Zhe Chang xinyuan Chang Wei Chao Auttakit Chatrabhuti Yimin Che Yuzhi Che bin Chen Danping Chen Fuqing Chen Fusan Chen Gang Chen Guoming Chen Hua-xing Chen Huirun Chen Jinhui Chen Ji-Yuan Chen Kai Chen Mali Chen Mingjun Chen Mingshui Chen Ning Chen Shanhong Chen Shanzhen Chen Shao-Long Chen Shaomin Chen Shiqiang Chen Tianlu Chen Wei Chen Xiang Chen Xiaoyu Chen xin Chen Xun Chen Xurong Chen Ye Chen Ying Chen Yukai Chen Zelin Chen Zilin Chen Gang Chen Boping Chen chunhui Chen Hok Chuen Cheng Huajie Cheng Shan Cheng Tongguang Cheng Yunlong Chi Pietro Chimenti Wen Han Chiu Guk Cho Ming-chung Chu Xiaotong Chu Ziliang Chu Guglielmo Coloretti Andreas Crivellin Hanhua Cui Xiaohao Cui Zhaoyuan Cui Brunella D'Anzi ling-Yun Dai xinchen Dai Xuwen Dai Antonio De Maria Nicola De Filippis Christophe De La Taille Francesca De Mori Chiara De Sio Elisa Del Core Shuangxue Deng Wei-Tian Deng Zhi Deng Ziyan Deng Bhupal Dev Tang Dewen biagio Di Micco Ran Ding Siqin Dingl Yadong Ding Haiyi Dong jianin AGH University of Science and Technology Faculty of Physics and Applied Computer ScienceKrakow Anhui University HefeiAnhui Applied Physics Department Federal Urdu University of ArtsScience and TechnologyIslamabad Banaras Hindu University Institute of ScienceVaranasi Bandirma Onyedi Eylul University Bandirma Beihang University Beijing Beijing Computational Science Research Center Beijing Beijing Conveyi LTD Beijing Beijing Glass Research Institute Co. LtdBeijing Beijing Institute of Technology Beijing Beijing Normal University Beijing Brown University ProvidenceRI Budker Institute of Nuclear Physics Novosibirsk Cadi Ayyad University Laboratory of Fundamental and Applied PhysicsPolydisciplinary FacultyMarrakech Cairo University Giza Center for Theory and Computation National Tsing Hua UniversityHsinchu Central China Normal University WuhanHubei Central South University ChangshaHunan Centro de Fisica Teorica de Particulas Universidade Tecnica de LisboaLisboa Chengdu KaitengSifang Digital Radio&TV Equipment Co. LtdChengduSichuan China academy of engineering physics MianyangSichuan China building materials academy Beijing China Center of Advanced Science and Technology Beijing China Institute of Atomic Energy Beijing China Jiliang University HangzhouZhejiang China Nuclear Instrument CO. LTDBeijing China University of Geosciences Beijing China University of Geosciences WuhanHubei China University of Mining and Technology XuzhouJiangsu China West Normal University NanchongSichuan Chongqing University Department of PhysicsChongqing Chulalongkorn University Bangkok City University of Hong Kong Department of PhysicsHong Kong Cockcroft Institute Daresbury Cornell University IthacaNY CPPM(AMU/IPhU&CNRS/INP) Marseille Dalian Minzu University DalianLiaoning Dalian University of Technology Department of PhysicsDalian Deutsches Elektronen-Synchrotron DESY Hamburg Dzhelepov Laboratory of Nuclear Problems of Joint Institute for Nuclear Research(DLNP JINR) Dubna East China University Of Science And Technol

The Circular Electron Positron Collider(CEPC)is a large scientific project initiated and hosted by China,fostered through extensive collaboration with international *** complex comprises four accelerators:a 30 GeV linac,a 1.1 GeV Damping Ring,a Booster capable of achieving energies up to 180 GeV,and a Collider operating at varying energy modes(Z,W,H,and tt).The linac and Damping Ring are situated on the surface,while the subterranean Booster and Collider are housed in a 100 km circumference underground tunnel,strategically accommodating future expansion with provisions for a potential Super Proton Proton Collider(SPPC).The CEPC primarily serves as a Higgs *** its baseline design with synchrotron radiation(SR)power of 30 MW per beam,it can achieve a luminosity of 5×10^(34)cm^(-2)s^(-1)per interaction point(IP),resulting in an integrated luminosity of 13 ab^(-1)for two IPs over a decade,producing 2.6 million Higgs *** the SR power to 50 MW per beam expands the CEPC's capability to generate 4.3 million Higgs bosons,facilitating precise measurements of Higgs coupling at sub-percent levels,exceeding the precision expected from the HL-LHC by an order of *** Technical Design Report(TDR)follows the Preliminary Conceptual Design Report(Pre-CDR,2015)and the Conceptual Design Report(CDR,2018),comprehensively detailing the machine's layout,performance metrics,physical design and analysis,technical systems design,R&D and prototyping efforts,and associated civil engineering ***,it includes a cost estimate and a preliminary construction timeline,establishing a framework for forthcoming engineering design phase and site selection *** is anticipated to begin around 2027-2028,pending government approval,with an estimated duration of 8 *** commencement of experiments and data collection could potentially be initiated in the mid-2030s.

关键词： initiated exceeding precise

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住院极早产儿宫外生长迟缓及相关因素的多中心前瞻性研究

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中国当代儿科杂志 2022年第2期24卷 132-140页

作者：沈蔚郑直林新祝吴繁田倩欣崔其亮袁媛任玲毛健石碧珍王玉梅刘玲张京慧常艳美童笑梅朱燕张蓉叶秀桢邹静静李怀玉赵宝银邱银萍刘淑华马莉徐颖程锐周文莉武辉刘志勇陈冬梅高金枝刘晶陈玲李丛杨春燕许平张亚昱呼斯乐梅花杨祖铭冯宗太王三南孟二艳尚利宏徐发林欧少苹巨容中国医师协会新生儿科医师分会营养专业委员会全国多中心EUGR协作组厦门大学附属妇女儿童医院/厦门市妇幼保健院福建厦门361003 广州医科大学附属第三医院儿科广东广州510150 中国医科大学附属盛京医院辽宁沈阳110000 贵阳市妇幼保健院·贵阳市儿童医院贵州贵阳550002 北京大学第三医院北京100191 复旦大学附属儿科医院上海201102 广东省妇幼保健院广东广州510030 宁夏医科大学总医院宁夏银川750001 河北省儿童医院河北石家庄050031 南京医科大学附属儿童医院江苏南京210000 吉林大学第一医院吉林长春130000 泉州市妇幼保健院·儿童医院福建泉州362000 华中科技大学同济医学院附属同济医院湖北武汉430000 山东省聊城市人民医院山东聊城252000 内蒙古医科大学附属医院内蒙古呼和浩特010010 苏州市立医院江苏苏州215002 郑州大学第三附属医院(河南省妇幼保健院) 河南郑州450052 电子科技大学医学院附属妇女儿童医院·成都市妇女儿童中心医院四川成都611731 不详

目的了解我国住院极早产儿(very preterm infant,VPI)宫外生长迟缓(extrauterine growth restriction,EUGR)的发生率及影响因素。方法采用多中心前瞻性调查研究方法,纳入2019年9月至2020年12月我国7个地区28家医院新生儿科的2514例VPI... 详细信息

目的了解我国住院极早产儿(very preterm infant,VPI)宫外生长迟缓(extrauterine growth restriction,EUGR)的发生率及影响因素。方法采用多中心前瞻性调查研究方法,纳入2019年9月至2020年12月我国7个地区28家医院新生儿科的2514例VPI临床资料,根据纠正胎龄36周或出院时的体重评估是否发生EUGR,分成EUGR组(n=1189)和非EUGR组(n=1325)。比较两组VPI的临床特征,探讨EUGR的发生情况及相关因素。结果以体重评价,EUGR的发生率为47.30%(1189/2514)。多因素logistic结果显示,恢复出生体重后平均体重增长速率快和住院第1周累计热卡高是EUGR的保护因素(P<0.05),小于胎龄儿、达全肠内营养所需时间长、累计禁食时间长、开始添加母乳强化剂时的母乳量少及达到全强化的所需时间长、中-重度支气管肺发育不良是EUGR发生的危险因素(P<0.05)。结论尽早达全肠内营养,及时强化母乳喂养,增加生后第1周的热卡摄入,提高体重增长速率,以及防治中-重度支气管肺发育不良对降低VPI EUGR的发生率至关重要。

关键词：宫外生长迟缓营养危险因素极早产儿

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