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Discovery of TK-642 as a highly potent,selective,orally bioavailable pyrazolopyrazine-based allosteric SHP2 inhibitor

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Acta Pharmaceutica Sinica B 2024年第8期14卷 3624-3642页

作者： Kai Tang Shu Wang Siqi Feng xinyu Yang Yueyang Guo Xiangli Ren Linyue Bai Bin Yu hong-Min Liu Yihui Song School of Pharmaceutical Sciences&Key Laboratory of Advanced Drug Preparation Technologies Ministry of EducationZhengzhou UniversityZhengzhou 450001China College of Chemistry Pingyuan LaboratoryState Key Laboratory of Antiviral DrugsZhengzhou UniversityZhengzhou 450001China Tianjian Laboratory of Advanced Biomedical Sciences Institute of Advanced Biomedical SciencesZhengzhou UniversityZhengzhou 450000China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Src homology-2-containing protein tyrosine phosphatase 2(SHP2)is a promising therapeutic target for cancer *** this work,we presented the structure-guided design of 5,6-fused bicyclic allosteric SHP2 inhibitors,leading to the identification of pyrazolopyrazine-based TK-642 as a highly potent,selective,orally bioavailable allosteric SHP2 inhibitor(SHP2WT IC_(50)=2.7 nmol/L)with favorable pharmacokinetic profiles(F=42.5%;t_(1/2)=2.47 h).Both dual inhibition biochemical assay and docking analysis indicated that TK-642 likely bound to the“tunnel”allosteric site of ***-642 could effectively suppress cell proliferation(KYSE-520 cells IC_(50)=5.73μmol/L)and induce apoptosis in esophageal cancer cells by targeting the SHP2-mediated AKT and ERK signaling ***,oral administration of TK-642 also demonstrated effective anti-tumor effects in the KYSE-520 xenograft mouse model,with a T/C value of 83.69%.Collectively,TK-642 may warrant further investigation as a promising lead compound for the treatment of esophageal cancer.

关键词： Protein tyrosine phosphatase Pyrazolopyrazine SHP2 inhibitor Esophageal cancer

Atomically Dispersed Zinc Active Sites Efficiently Promote the Electrochemical Conversion of N_(2) to NH_(3)

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Energy & Environmental Materials 2024年第3期7卷 175-181页

作者： Yanjiao Wei xinyu Wang Mengjie Sun Min Ma Jian Tian Minhua Shao School of Materials Science and Engineering Shandong University of Science and TechnologyQingdao 266590China Department of Chemical and Biological Engineering The Hong Kong University of Science and TechnologyClear Water BayKowloonHong Kong 999077China Energy Institute and Chinese National Engineering Research Center for Control&Treatment of Heavy Metal PollutionThe Hong Kong University of Science and TechnologyClear Water BayKowloonHong Kong China

At present,the research on highly active and stable nitrogen reduction reaction catalysts is still challenging work for the electrosynthesis of ammonia(NH_(3)).Herein,we synthesized atomically dispersed zinc active sites supported on N-doped carbon nanosheets(Zn/NC NSs)as an efficient nitrogen reduction reaction catalyst,which achieves a high ammonia yield of 46.62μg h^(-1)mg^(-1)_(cat).at-0.85 V(vs RHE)and Faradaic efficiency of 95.8%at-0.70 V(vs RHE).In addition,Zn/NC NSs present great stability and selectivity,and there is no significant change in NH_(3)rate and Faradaic efficiencies after multiple *** structural characterization shows that the active center in the nitrogen reduction reaction process is the Zn-N_(4)sites in the *** calculation confirms that Zn/NC with Zn-N_(4)configuration has a lower energy barrier for the formation of^(*)NNH intermediate compared with pure N-doped carbon nanosheets(N-C NSs),thus promoting the hydrogenation kinetics in the whole nitrogen reduction reaction process.

关键词： electrocatalysis nitrogen reduction single-atom catalyst Zn-N_(4)

High-performance formaldehyde prediction for indoor air quality assessment using time series deep learning

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Building Simulation 2024年第3期17卷 415-429页

作者： Liu Lu xinyu Huang Xiaojun Zhou Junfei Guo Xiaohu Yang Jinyue Yan School of Human Settlements and Civil Engineering Xi’an Jiaotong UniversityXi’anChina Department of Building Environment and Energy Engineering The Hong Kong Polytechnic UniversityKowloonHong KongChina Future Energy Profile School of BusinessSocietyand EngineeringMälardalen UniversityVästeråsSweden

Indoor air pollution resulting from volatile organic compounds(VOCs),especially formaldehyde,is a significant health concern needed to predict indoor formaldehyde concentration(Cf)in green intelligent building *** study develops a thermal and wet coupling calculation model of porous fabric to account for the migration of formaldehyde molecules in indoor air and cotton,silk,and polyester fabric with heat flux in Harbin,Beijing,Xi’an,Shanghai,Guangzhou,and Kunming,*** time-by-time indoor dry-bulb temperature(T),relative humidity(RH),and Cf,obtained from verified simulations,were collated and used as input data for the long short-term memory(LSTM)of the deep learning model that predicts indoor multivariate time series Cf from the secondary source effects of indoor fabrics(adsorption and release of formaldehyde).The trained LSTM model can be used to predict multivariate time series Cf at other emission times and *** LSTM-based model also predicted Cf with mean absolute percentage error(MAPE),symmetric mean absolute percentage error(SMAPE),mean absolute error(MAE),mean square error(MSE),and root mean square error(RMSE)that fell within 10%,10%,0.5,0.5,and 0.8,*** addition,the characteristics of the input dataset,model parameters,the prediction accuracy of different indoor fabrics,and the uncertainty of the data set are *** results show that the prediction accuracy of single data set input is higher than that of temperature and humidity input,and the prediction accuracy of LSTM is better than recurrent neural network(RNN).The method’s feasibility was established,and the study provides theoretical support for guiding indoor air pollution control measures and ensuring human health and safety.

关键词： multivariate time series formaldehyde concentration deep learning heat-humidity coupling mass transfer secondary source effect

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聚六亚甲基胍毒性研究进展

环境与职业医学 2022年第1期39卷 99-104页

作者：杨正丽洪新宇上海市疾病预防控制中心化学品毒性检定所/国家环境保护新型污染物环境健康影响评价重点实验室上海200336

聚六亚甲基胍(PHMG)是一种被广泛使用的胍类消毒剂。自韩国发生加湿器消毒剂(主要成分是PHMG)肺损伤事件以来,其吸入毒性引起了研究者的重视与关注。目前国内关于吸入PHMG毒性的研究较少,本文在国内外研究基础上对PHMG的吸入毒性及其他... 详细信息

聚六亚甲基胍(PHMG)是一种被广泛使用的胍类消毒剂。自韩国发生加湿器消毒剂(主要成分是PHMG)肺损伤事件以来,其吸入毒性引起了研究者的重视与关注。目前国内关于吸入PHMG毒性的研究较少,本文在国内外研究基础上对PHMG的吸入毒性及其他毒性做一综述,系统性介绍了目前已经报道的PHMG毒性,包括吸入毒性及其毒性机制和其他可能毒性如肝脏毒性、心血管毒性、免疫毒性以及生殖和发育毒性,揭示了不规范使用PHMG对机体的影响及其可能的机制,为我国合理使用PHMG消毒剂和后续开展相关研究奠定理论基础与提供科学依据。

关键词：聚六亚甲基胍加湿器消毒剂吸入毒性毒理机制

Application of in Vitro Alternative Tests Based on AOP in Skin Sensitization Evaluation of Cosmetics

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China Detergent & Cosmetics 2023年第2期8卷 31-37页

作者： Ying Mengchao Xiao Ping hong xinyu Sun Jingqiu Huo Qian Li Chen Chen Tian Tao Gonghua Shanghai Municipal Center For Disease Control&Prevention China NMPA Key Laboratory for Monitoring and Evaluation of Cosmetics State Environmental Protection Key Laboratory of the Assessment of Effects of Emerging Pollutants on Environmental and Human HealthChina

To evaluate and discuss two novels in vitro alternative tests which based on the 2nd and 4th event of the AOP in skin sensitization and their application in skin sensitization evaluation of cosmetics in *** DSens(DSens method)and Jurkat(TCPA method)were used as the test models and 9 of reference chemicals and 12 kinds of cosmetic products were used to confirm and assess the application capability in skin *** results showed that the DSens method was more sensitive to the reference chemicals compare to the TCPA *** the results of cosmetic products showed a high consistency between these two assays and h-CLAT or in vivo *** the new screening method for skin sensitization evaluation of cosmetics,the in vitro alternative tests based on AOP have certain *** reasonable combination strategy can bring a bright future for the development and application of animal alternative test in China.

关键词： skin sensitization in vitro alternative methods T cell activation cosmetic safety assessment

Effects of 12C6＋ Ions Irradiation on M1 Characters of the Perilla

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近代物理研究所和兰州重离子加速器实验室年报：英文版 2009年第1期 173-174页

作者： Wu Zhenhua Zhang hong Wang xinyu Xue Lingui Niu Bingtao Zhao Xu Wang Zhenhua Supported by the Natural Science Foundation of Gansu Province.

嗜铬细胞瘤患者妊娠早期放射线暴露终止妊娠一例

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中华妇产科杂志 2020年第8期55卷 565-566页

作者：洪新宇彭萍中国医学科学院北京协和医学院北京协和医院妇产科 100730

嗜铬细胞瘤是少见的内分泌疾病,临床表现为阵发性难治性高血压合并多系统受累;嗜铬细胞瘤合并妊娠更罕见,对母亲和胎儿均可能造成不良影响。本文讨论1例嗜铬细胞瘤患者妊娠早期放射线暴露终止妊娠的临床特点和治疗情况,以及妊娠期放射... 详细信息

嗜铬细胞瘤是少见的内分泌疾病,临床表现为阵发性难治性高血压合并多系统受累;嗜铬细胞瘤合并妊娠更罕见,对母亲和胎儿均可能造成不良影响。本文讨论1例嗜铬细胞瘤患者妊娠早期放射线暴露终止妊娠的临床特点和治疗情况,以及妊娠期放射线暴露对胎儿的影响,为临床提供参考。患者于妊娠前5个月行嗜铬细胞瘤局部放疗,发现妊娠时已孕8周余,而且在早孕期因嗜铬细胞瘤复查已行3次核医学检查。经多学科会诊,调整血压后终止妊娠。嗜铬细胞瘤合并妊娠属于高危妊娠,早孕期放射线暴露对胎儿存在影响,育龄期妇女需重视月经,做好孕前准备和防护。

关键词：终止妊娠核医学检查嗜铬细胞瘤高危妊娠早孕期难治性高血压局部放疗育龄期妇女

3 - 77 Regulative Effects of Eucommia ulmoides Oliver Leaves Extraction on Acute Injury Induced by Carbon Ions in Mice

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IMP & HIRFL Annual Report 2010年第1期 178-179页

作者： Wu Zhenhua Zhang hong Wang xinyu Wang Xiaohu Wang Zhenhu Yang Rong Niu Bingtao Zhao Weiping

Loss of Tet hydroxymethylase activity causes mouse embryonic stem cell differentiation bias and developmental defects

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Science China(Life Sciences) 2024年第10期67卷 2132-2148页

作者： Mengting Wang Liping Wang Yanxin Huang Zhibin Qiao Shanru Yi Weina Zhang Jing Wang Guang Yang xinyu Cui Xiaochen Kou Yanhong Zhao hong Wang Cizhong Jiang Shaorong Gao Jiayu Chen Clinical and Translational Research Center of Shanghai First Maternity and Infant Hospital Shanghai Key Laboratory of Signaling and Disease ResearchSchool of Life Sciences and TechnologyTongji UniversityShanghai 200092China Shanghai Tenth People’s Hospital School of MedicineTongji UniversityShanghai 200072China Frontier Science Center for Stem Cell Research Tongji UniversityShanghai 200092China Key Laboratory of Spine and Spinal Cord Injury Repair and Regeneration of the Ministry of Education Orthopaedic Department of Tongji HospitalTongji UniversityShanghai 200065China Shanghai Institute of Stem Cell Research and Clinical Translation Shanghai 200120China

The TET family is well known for active DNA demethylation and plays important roles in regulating transcription,the epigenome and ***,previous studies using knockdown(KD)or knockout(KO)models to investigate the function of TET have faced challenges in distinguishing its enzymatic and nonenzymatic roles,as well as compensatory effects among TET family members,which has made the understanding of the enzymatic role of TET not accurate *** solve this problem,we successfully generated mice catalytically inactive for specific Tet members(Tetm/m).We observed that,compared with the reported KO mice,mutant mice exhibited distinct developmental defects,including growth retardation,sex imbalance,infertility,and perinatal ***,Tetm/mmouse embryonic stem cells(mESCs)were successfully established but entered an impaired developmental program,demonstrating extended pluripotency and defects in ectodermal differentiation caused by abnormal DNA ***,Tet3,traditionally considered less critical for m ESCs due to its lower expression level,had a significant impact on the global hydroxymethylation,gene expression,and differentiation potential of ***,there were common regulatory regions between Tet1 and Tet3 in pluripotency *** summary,our study provides a more accurate reference for the functional mechanism of Tet hydroxymethylase activity in mouse development and ESC pluripotency regulation.

关键词： Tet hydroxymethylase activity mESCs DNA demethylation 5hmC