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Structure-based development of potent and selective type-II kinase inhibitors of RIPK1

Acta Pharmaceutica Sinica B 2024年第1期14卷 319-334页

作者： Ying Qin Dekang Li Chunting Qi Huaijiang Xiang Huyan Meng Jingli Liu Shaoqing Zhou Xinyu Gong Ying Li Guifang Xu Rui Zu Hang Xie Yechun Xu Gang Xu Zheng Zhang Shi Chen lifeng pan Ying Li Li Tan Interdisciplinary Research Center on Biology and Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 201210China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China School of Chinese Materia Medica Nanjing University of Chinese MedicineNanjing 210023China State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Institute of Hepatology National Clinical Research Center for Infectious DiseaseShenzhen Third People’s Hospitalthe Second Affiliated HospitalSchool of MedicineSouthern University of Science and TechnologyShenzhen 518112China Department of Burn and Plastic Surgery Shenzhen Institute of Translational MedicineShenzhen University Medical SchoolShenzhen Second People’s Hospitalthe First Affiliated Hospital of Shenzhen UniversityShenzhen 518035China

Receptor-interacting serine/threonine-protein kinase 1(RIPK1)functions as a key regulator in inflammation and cell death and is involved in mediating a variety of inflammatory or degenerative diseases.A number of allosteric RIPK1 inhibitors(RIPK1i)have been developed,and some of them have already advanced into clinical ***,selective RIPK1i that interact with both the allosteric pocket and the ATP-binding site of RIPK1 have started to ***,we report the rational development of a new series of type-II RIPK1i based on the rediscovery of a reported but mechanistically atypical *** also describe the structure-guided lead optimization of a potent,selective,and orally bioavailable RIPK1i,62,which exhibits extraordinary efficacies in mouse models of acute or chronic inflammatory ***,62 provides a useful tool for evaluating RIPK1 in animal disease models and a promising lead for further drug development.

关键词： RIPK1 Necroptosis Type-II kinase inhibitors Rational design Lead optimization Structure‒activity relationship Anti-inflammation Preclinical drug discovery

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Adaptive SPC monitoring scheme for DOE-based APC

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Journal of Systems Engineering and Electronics 2008年第2期19卷 329-336页

作者： Ye Liang pan Ershun Xi lifeng Dept. of Industrial Engineering and Logistics School of Management Engineering Shanghai Jiaotong Univ. Shanghai 200240 P. R. China

Automatic process control (APC) based on design of experiment (DOE) is a cost-efficient approach for variation reduction. The process changes both in mean and variance owing to online parameter adjustment make it hard to apply traditional SPC charts in such DOE-based APC applied process. An adaptive SPC scheme is developed, which can better track the process transitions and achieve the possible SPC run cost reduction when the process is stable. The control law of SPC parameters is designed by fully utilizing the estimation properties of the process model instead of traditionally using the data collected from the production line. An example is provided to illustrate the proposed adaptive SPC design approach.

关键词： automatic process control statistical process control robust parameter design process transitions.

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Combination of NMR spectroscopy and X-ray crystallography offers unique advantages for elucidation of the structural basis of protein complex assembly

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Science China(Life Sciences) 2011年第2期54卷 101-111页

作者： FENG Wei pan lifeng ZHANG MingJie Division of Life Science Molecular Neuroscience Center State Key Laboratory of Molecular Neuroscience Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong China National Laboratory of Biomacromolecules Institute of Biophysics Chinese Academy of Sciences Beijing 100101 China

NMR spectroscopy and X-ray crystallography are two premium methods for determining the atomic structures of macro-biomolecular *** method has unique strengths and *** the two techniques are highly complementary,they have generally been used separately to address the structure and functions of biomolecular *** this review,we emphasize that the combination of NMR spectroscopy and X-ray crystallography offers unique power for elucidating the structures of complicated protein *** demonstrate,using several recent examples from our own laboratory,that the exquisite sensitivity of NMR spectroscopy in detecting the conformational properties of individual atoms in proteins and their complexes,without any prior knowledge of conformation,is highly valuable for obtaining the high quality crystals necessary for structure determination by X-ray *** NMR spectroscopy,in addition to answering many unique structural biology questions that can be addressed specifically by that technique,can be exceedingly powerful in modern structural biology when combined with other techniques including X-ray crystallography and cryo-electron microscopy.

关键词： NMR spectroscopy X-ray crystallography structural biology protein complex assembly

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Extensions of PDZ domains as important structural and functional elements

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Protein & Cell 2010年第8期1卷 737-751页

作者： Conan K.Wang lifeng pan Jia Chen Mingjie Zhang Department of Biochemistry Molecular Neuroscience CenterHong Kong University of Science and TechnologyClear Water BayKowloonHong Kong Eskitis Institute for Cell and Molecular Therapies Griffith UniversityBrisbaneQld 4111Australia

‘Divide and conquer’has been the guiding strategy for the study of protein structure and *** are divided into domains with each domain having a canonical structural definition depending on its *** this review,we push forward with the interesting observation that many domains have regions outside of their canonical definition that affect their structure and function;we call these regions‘extensions’.We focus on the highly abundant PDZ(PSD-95,DLG1 and ZO-1)*** bioinformatics,we find that many PDZ domains have potential extensions and we developed an openly-accessible website to display our results(http://***/pdzex/).We propose,using well-studied PDZ domains as illustrative examples,that the roles of PDZ extensions can be classified into at least four categories:1)protein dynamics-based modulation of target binding affinity,2)provision of binding sites for macro-molecular assembly,3)structural integration of multi-domain modules,and 4)expansion of the target ligand-binding *** review highlights the potential structural and functional importance of domain extensions,highlighting the significance of looking beyond the canonical boundaries of protein domains in general.

关键词： PDZ domain PDZ extensions protein structure

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Mechanistic Investigations into the Catalytic Mode of a Dehydratase Complex Involved in the Biosynthesis of Lantibiotic Cacaoidin

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Chinese Journal of Chemistry 2023年第24期41卷 3579-3586页

作者： Yanqing Xue Miao Li Ling Hu Jianing Liu lifeng pan Wen Liu State Key Laboratory of Bioorganic and Natural Products Chemistry Shanghai Institute of Organic ChemistryUniversity of Chinese Academy of Sciences345 Lingling RoadShanghai200032 China School of Chemistry and Materials Science Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of Sciences1 Sublane XiangshanHangzhouZhejiang310024 China

Dehydration of serine/threonine residues necessitates the activity of a dehydratase enzyme(domain)during the biosynthesis of ***,it was reported that dehydration in the thioviridamide pathway relies on a distinct dehydratase complex that showcases the activities of a phosphotransferase TvaC for serine/threonine phosphorylation and a lyase TvaD for subsequent phosphate ***,we report that dehydration reactions in the pathway of lantibiotic cacaoidin involves a similar dehydratase complex,CaoK/***,this dehydratase complex exhibits flexible enzymatic activity and tolerates significant variations in its substrate peptide *** binding with the leader peptide(LP)sequence of precursor peptide CaoA,the dehydration reactions proceed in a directional manner from the C-terminus of the core peptide(CP)to the N-terminus,and C-terminally truncated variants of CP are *** show that fusing CaoK to CaoY in a 1:1 molar ratio enables the resulting enzyme CaoYK to exert enhanced dehydration *** binds with the LP to improve its own solubility and to ensure the phosphate transfer activity,while CaoY functions in a manner independently of *** work advances our understanding of the dehydration process during cacaoidin formation,and provides useful enzymes and methods for the studies of the rapidly emerging RiPPs.

关键词： Ribosomally synthesized and post-translationally modified peptide Antibiotics Enzyme models Natural products Dehydratase complex Cacaoidin Dehydration reaction

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Mechanistic lnsights into the Interactions of Ras Subfamily GTPases withthe SPN Domain of Autism-associated SHANK3

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Chinese Journal of Chemistry 2020年第12期38卷 1635-1641页

作者： Xiaolong Xu Jianping Liu Yingli Wang Yarn Wang Xinyu Gong lifeng pan State Key Laboratory of Bioorganic and Natural Products Chemistry Center for Excellence in Molecular SynthesisUniversity of Chinese Academy of SciencesShanghai Institute of Organic ChemistryChinese Academy of Sciences345 Lingling RoadShanghai 200032China

of main observation and conclusion The active Ras subfamily GTPases,R apl and Ras,can be specifically recognized by the SPN domain of SHANK3,mutations of which are associated with many neuropsychiatric diseases such as autism spectrum disorder(ASD).However,the mechanistic bases underlying the interactions of SHANK3 SPN and those Ras subfamily proteins are still ***,we reported the crystal structures of SHANK3 SPN in complex with the GTP-bound Raplb and the Ras-mimetic Raplb E30D/K31E double *** addition to uncovering the detailed molecular mechanism governing the specific interactions of SHANK3 SPN with those Ras subfamily proteins,the determined structures also reveal a general binding mode between SHANK3 SPN and its associated Ras subfamily ***,our study also provides mechanistic insights into two ASD-causing R12C and L68P mutations found in the SPN domain of SHANK3,and expands our understanding of the etiology of neuropsychiatric diseases caused by defective SHANK3.

关键词： diseases bases conclusion

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多维视角下物联网工程专业应用型人才培养路径研究

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信息与电脑 2024年第12期36卷 222-225页

作者：李晓琪许慧燕潘丽峰王俊湖南涉外经济学院湖南长沙410205

随着社会信息化的迅速发展,物联网工程已成为一个备受瞩目的新兴学科。物联网技术的广泛应用,不仅促进了各行各业的创新进步,也对人才培养提出了新挑战。对于物联网工程专业的应用型人才,市场的需求日益增长。由于该学科相对较新,所以... 详细信息

随着社会信息化的迅速发展,物联网工程已成为一个备受瞩目的新兴学科。物联网技术的广泛应用,不仅促进了各行各业的创新进步,也对人才培养提出了新挑战。对于物联网工程专业的应用型人才,市场的需求日益增长。由于该学科相对较新,所以在教学方面,面临师资力量薄弱和实践教学体系尚不完善等问题,这导致了人才培养质量的参差不齐。本文旨在从多维视角探讨,通过优化专业基础教育、强化实践教学环节以及提升师资队伍,来提高物联网工程专业应用型人才的培养质量。

关键词：物联网工程专业应用型人才实践教学

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不同淀粉添加和老化时间对干米粉品质的影响

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食品研究与开发 2024年第9期45卷 62-66,133页

作者：吴依云刘容覃香妹陈小梅潘丽凤广西科技大学生物与化学工程学院广西柳州545006 广西柳州螺蛳粉工程技术中心广西柳州545006

为研究不同淀粉添加和老化时间对干米粉品质的影响,以干米粉复水率、断条率、质构特性、感官特性品质为考察指标,研究干米粉加工过程中不同比例玉米淀粉、木薯淀粉和不同老化时间处理对其品质的影响。结果表明,添加适量淀粉可明显改善... 详细信息

为研究不同淀粉添加和老化时间对干米粉品质的影响,以干米粉复水率、断条率、质构特性、感官特性品质为考察指标,研究干米粉加工过程中不同比例玉米淀粉、木薯淀粉和不同老化时间处理对其品质的影响。结果表明,添加适量淀粉可明显改善干米粉的复水率和断条率;随着老化时间的延长,米粉的硬度、弹性逐渐增大,黏性降低,淀粉链的结构呈现有序化的趋势。因此,添加20%玉米淀粉或40%木薯淀粉老化6 h,干米粉品质较好。

关键词：干米粉玉米淀粉木薯淀粉老化品质

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Predictability of the 7·20 extreme rainstorm in Zhengzhou in stochastic kinetic-energy backscatter ensembles

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Science China Earth Sciences 2024年第7期67卷 2226-2241页

作者： Min YANG Peilong YU lifeng ZHANG Xiaobing pan Quanjia ZHONG Yunying LI College of Meteorology and Oceanography National University of Defense TechnologyChangsha 410073China Key Laboratory of High Impact Weather(Special) China Meteorological AdministrationChangsha 410073China Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters/Key Laboratory of Meteorological Disaster Ministry of Education/Joint International Research Laboratory of Climate and Environment ChangeNanjing University of Information Science and TechnologyNanjing 210044China Department of Ocean Science Hong Kong University of Science and TechnologyHong Kong 999077China

The scale-dependent predictability of the devastating 7·20 extreme rainstorm in Zhengzhou,China in 2021 was investigated via ensemble experiments,which were perturbed on different scales using the stochastic kinetic-energy backscatter(SKEB)scheme in the WRF model,with the innermost domain having a 3-km grid *** daily rainfall(RAIN24h)and the cloudburst during 1600-1700 LST(RAIN1h)were *** demonstrated that with larger perturbation scales,the ensemble spread for the rainfall maximum widens and rainfall forecasts become closer to the *** ensembles with mesoscale or convective-scale perturbations,RAIN1h loses predictability at scales smaller than 20 km and RAIN24h is predictable for all *** in ensembles with synoptic-scale perturbations,the largest scale of predictability loss extends to 60 km for both RAIN1h and ***,the average positional error in forecasting the heaviest rainfall for RAIN24h(RAIN1h)was 400 km(50-60)*** southerly low-level jet near Zhengzhou was assumed to be directly responsible for the forecast uncertainty of *** rapid intensification in low-level cyclonic vorticity,mid-level divergence,and upward motion concomitant with the jet dynamically facilitated the *** analysis of the divergent,rotational and vertical kinetic spectra and the corresponding error spectra showed that the error kinetic energy at smaller scales grows faster than that at larger scales and saturates more quickly in all ***-scale perturbations not only boost larger-scale error growth but are also conducive to error growth at all scales through a downscale cascade,which indicates that improving the accuracy of larger-scale flow forecast may discernibly contributes to the forecast of cloudburst intensity and position.

关键词： Stochastic kinetic-energy backscatter(SKEB) Extreme rainfall Ensemble forecast Predictability

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MarkNeRF:Watermarking for Neural Radiance Field

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Computers, Materials & Continua 2024年第7期80卷 1235-1250页

作者： lifeng Chen Jia Liu Wenquan Sun Weina Dong Xiaozhong pan Cryptographic Engineering Department Institute of Cryptographic EngineeringEngineering University of PAPXi’an710086China Key Laboratory of Network and Information Security of PAP Xi’an710086China

This paper presents a novel watermarking scheme designed to address the copyright protection challenges encountered with Neural radiation field(NeRF)*** employ an embedding network to integrate the watermark into the images within the training ***,theNeRFmodel is utilized for *** copyright verification,a secret image is generated by inputting a confidential viewpoint into *** this basis,design an extraction network to extract embedded watermark images fromconfidential *** the event of suspicion regarding the unauthorized usage of NeRF in a black-box scenario,the verifier can extract the watermark from the confidential viewpoint to authenticate the model’s *** experimental results demonstrate not only the production of visually appealing watermarks but also robust resistance against various types of noise attacks,thereby substantiating the effectiveness of our approach in safeguarding NeRF.

关键词： Neural radiation field 3D watermark robustness black box

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