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Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK)

JOURNAL OF MEDICINAL CHEMISTRY 2019年第24期62卷 10927-10954页

作者： Kong, Xiaotian Pan, Peichen Sun, Huiyong Xia, Hongguang wang, xuwen Li, Youyong Hou, Tingjun Zhejiang Univ Hangzhou Inst Innovat Med Coll Pharmaceut Sci Hangzhou 310058 Zhejiang Peoples R China Zhejiang Univ Dept Biochem Hangzhou 310058 Zhejiang Peoples R China Zhejiang Univ Affiliated Hosp 1 Res Ctr Clin Pharm Hangzhou 310058 Zhejiang Peoples R China Soochow Univ Inst Funct Nano & Soft Mat FUNSOM Suzhou 215123 Jiangsu Peoples R China

As a receptor tyrosine kinase of insulin receptor (IR) subfamily, anaplastic lymphoma kinase (ALK) has been validated to play important roles in various cancers, especially anaplastic large cell lymphoma (ALCL), nonsmall cell lung cancer (NSCLC), and neuroblastomas. Currently, five small-molecule inhibitors of ALK, including Crizotinib, Ceritinib, Alectinib, Brigatinib, and Lorlatinib, have been approved by the U.S. Food and Drug Administration (FDA) against ALK-positive NSCLCs. Novel type-I-1/2 and type-II ALK inhibitors with improved kinase selectivity and enhanced capability to combat drug resistance have also been reported. Moreover, the "proteolysis targeting chimera" (PROTAC) technique has been successfully applied in developing ALK degraders, which opened a new avenue for targeted ALK therapies. This review provides an overview of the physiological and biological functions of ALK, the discovery and development of drugs targeting ALK by focusing on their chemotypes, activity, selectivity, and resistance as well as potential therapeutic strategies to overcome drug resistance.

关键词： Cancer Drug resistance Peptides and proteins Genetics Inhibitors

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farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods

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BIOINFORMATICS 2019年第10期35卷 1777-1779页

作者： wang, Zhe wang, xuwen Li, Youyong Lei, Tailong wang, Ercheng Li, Dan Kang, Yu Zhu, Feng Hou, Tingjun Zhejiang Univ Coll Pharmaceut Sci Hangzhou 310058 Zhejiang Peoples R China Soochow Univ Inst Funct Nano & Soft Mat FUNSOM Suzhou 215123 Jiangsu Peoples R China Zhejiang Univ State Key Lab CAD&CG Hangzhou 310058 Zhejiang Peoples R China

Protein-protein interactions (PPIs) have been regarded as an attractive emerging class of therapeutic targets for the development of new treatments. Computational approaches, especially molecular docking, have been extensively employed to predict the binding structures of PPI-inhibitors or discover novel small molecule PPI inhibitors. However, due to the relatively undruggable' features of PPI interfaces, accurate predictions of the binding structures for ligands towards PPI targets are quite challenging for most docking algorithms. Here, we constructed a non-redundant pose ranking benchmark dataset for small-molecule PPI inhibitors, which contains 900 binding poses for 184 protein-ligand complexes. Then, we evaluated the performance of MM/PB(GB)SA approaches to identify the correct binding poses for PPI inhibitors, including two Prime MM/GBSA procedures from the Schrodinger suite and seven different MM/PB(GB)SA procedures from the Amber package. Our results showed that MM/PBSA outperformed the Glide SP scoring function (success rate of 58.6%) and MM/GBSA in most cases, especially the PB3 procedure which could achieve an overall success rate of approximate to 74%. Moreover, the GB6 procedure (success rate of 68.9%) performed much better than the other MM/GBSA procedures, highlighting the excellent potential of the GBNSR6 implicit solvation model for pose ranking. Finally, we developed the webserver of Fast Amber Rescoring for PPI Inhibitors (farPPI), which offers a freely available service to rescore the docking poses for PPI inhibitors by using the MM/PB(GB)SA methods. Availability and implementation farPPI web server is freely available at http://***/farppi/. Supplementary information Supplementary data are available at Bioinformatics online.

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Association of rs1059004 polymorphism in the OLIG2 locus with functional brain network in first-episode negative schizophrenia

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PSYCHIATRY RESEARCH-NEUROIMAGING 2020年 303卷 111130-111130页

作者： Lv, Yahui Wu, Sijia Lin, Yanyan wang, xuwen wang, Jijun Cai, Suping Huang, Liyu Xidian Univ Sch Life Sci & Technol Xian 710071 Shaanxi Peoples R China Shanghai Jiao Tong Univ Shanghai Mental Hlth Ctr Shanghai 200030 Peoples R China

Schizophrenia has often been viewed as a disorder of connectivity. The single nucleotide polymorphism rs1059004 in the oligodendrocyte lineage transcription factor 2 gene locus has been reported to be associated with schizophrenia. We measured the functional connectivity and functional brain network topology properties in 49 schizophrenic patients and 47 healthy controls. We compared the strength and diversity of the functional connectivity and topological properties of functional networks between different genotypes. The correlations among functional connectivity, topological properties and behavioral performances were also investigated in this study. We found that the connectivity strength of schizophrenic patients carrying the risk A allele was generally decreased whereas connectivity diversity was increased. Regarding topological properties, all groups showed small-world properties, the nodal efficiency showed significant differences in the right precuneus and left middle temporal pole between different genotypes in schizophrenic patients. Moreover, the nodal efficiency in the left middle temporal pole was positively correlated with the neuropsychological assessment battery results of the schizophrenic patients who were homozygous for the C allele. Our results elucidate the contribution of rs1059004 to the functional brain network, and may help enhance the present understanding of the role of risk gene in the functional dysconnectivity of schizophrenia.

关键词： Schizophrenia Oligodendrocyte lineage transcription factor 2 Functional connectivity Functional network Graph theoretical analysis

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体育用品公司存货成本控制研究 ——以A公司为例体育用品公司存货成本控制研究 ——以A公司为例

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物流科技 2020年第4期43卷 43-46页

作者：汪旭文南京邮电大学江苏南京210003

存货成本控制是企业一项重要的生产经营活动,在日趋激烈的市场竞争中,存货成本控制管理备受企业所重视.体育用品公司由于其行业特殊性,在采购、使用、保管、核算等环节面临流程不清、责任不明、制度不全等问题,一定程度上影响企业经营利... 详细信息

存货成本控制是企业一项重要的生产经营活动,在日趋激烈的市场竞争中,存货成本控制管理备受企业所重视.体育用品公司由于其行业特殊性,在采购、使用、保管、核算等环节面临流程不清、责任不明、制度不全等问题,一定程度上影响企业经营利润,制约企业发展,构建健全的成本控制体系显得尤为紧迫.文章以企业存货成本控制相关理论为基础,基于A公司库存管理现状,对存货成本控制业务流程的现状及相关数据进行分析,发现A公司当前在存货管理方面存在内部采购管理制度不健全、ERP系统存在信息漏洞、存货盘点流于形式、存货预算编制不够准确、存货核算管理存在缺陷等问题,并有针对性地提出优化建议.

关键词：存货成本控制去库存体育用品

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Multi-objective optimization of concave radial forging process parameters based on response surface methodology and genetic algorithm

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INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY 2024年第9-10期130卷 5025-5044页

作者： Du, Zun Xu, Wenxia wang, Zhaohui Zhu, xuwen wang, Junshi wang, Hongxia Wuhan Univ Technol Wuhan University of Technology Hubei Longzhong Lab Xiangyang 441000 Hubei Peoples R China Wuhan Univ Sci & Technol Key Lab Met Equipment & Control Technol Minist Educ Wuhan 430081 Hubei Peoples R China Wuhan Univ Sci & Technol Hubei Key Lab Mech Transmiss & Mfg Engn Wuhan 430081 Hubei Peoples R China Hubei Univ Automot Technol Coll Mech Engn Shiyan 442002 Peoples R China

To enhance the forming quality of the forging and minimize the forging cost in the concave radial forging process, this article examines the influence of process parameters (radial reduction increment h, rotation angle beta, friction coefficient mu) on the forging process through numerical simulation. A multi-objective optimization method is employed to balance the objective functions (strain homogeneity E, forging load F). First, sample points for different combinations of process parameters were obtained using a central composite experimental design. Then, a mathematical model between the process parameters and the objective function was established using the response surface method, which underwent variance analysis and sensitivity analysis. Finally, the optimal process parameter combination was determined based on the NSGA-II algorithm and satisfaction function. The optimization results were verified by finite element simulations. The optimized process combination: increment h = 0.25 mm, beta = 21.68 degrees, mu = 0.05. The corresponding E and F are 0.241367 and 577.029, respectively. Compared with the initial process, the standard deviation of the overall strain was reduced by 14.25%, and the forging load was reduced by 1.76%. The results indicate that the quality of the forgings was significantly improved while the forging cost was reduced to some extent.

关键词： Concave radial forging Process parameters Multi-objective optimization Strain homogeneity Forging load

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A Cross-Lingual Effort Towards Managing English-Chinese Cancer Education Resources 17

A Cross-Lingual Effort Towards Managing English-Chinese Canc...

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17th World Congress of Medical and Health Informatics (MEDINFO)

作者： Ma, Hetong Ren, Jiansong wang, xuwen Fang, An Li, Jiao Qian, Qing Chinese Acad Med Sci Inst Med Informat Lib Peking Union Med Coll Beijing Peoples R China Chinese Acad Med Sci Natl Canc Ctr Peking Union Med Coll Canc Hosp Beijing Peoples R China

ISBN: (纸本)9781643680033;9781643680026

As translated education resource plays an important role in healthcare providers' training and medical knowledge dissemination, we proposed a method to manage cross-lingual education resources with the goal of facilitating the medical education and physician training. We created an English Chinese cancer knowledge base including bilingual description on cancer diagnosis, prevention, screening, treatments, etc. We developed a workflow to create the bilingual corpus, and applied it to six cancer monographs in PDQ (Physician Data Query).

关键词： Cancer education resource Cross language Parallel corpus

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A novel hybrid battery thermal management system using TPMS structure and delayed cooling scheme

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APPLIED THERMAL ENGINEERING 2025年 259卷

作者： Yang, Haonan wang, Zhaohui Bao, Rongqing Zhang, Bowen Zhu, xuwen wang, Hongxia Wuhan Univ Sci & Technol Key Lab Met Equipment & Control Technol Minist Educ Wuhan 430081 Hubei Peoples R China Wuhan Univ Sci & Technol Hubei Key Lab Mech Transmiss & Mfg Engn Wuhan 430081 Hubei Peoples R China Wuhan Univ Technol Xiangyang Demonstrat Zone Hubei Longzhong Lab Xiangyang 441000 Hubei Peoples R China Hubei Univ Automot Technol Coll Mech Engn Shiyan 442002 Hubei Peoples R China

Phase change material (PCM) cooling plays an important role in battery thermal management systems (BTMS). However, PCM has been suffering from low thermal conductivity and inefficient latent heat recovery. Based on this, this study designs a hybrid BTMS combining triply periodic minimal surface (TPMS), PCM, and liquid cooling, and proposes a cooling scheme that determines the operating time of the coolant based on the battery temperature. The system aims to improve the utilization of PCM in two different ways: structural design and cooling scheme. Numerical analysis was used to compare the effects of different structures on the melting rate of PCM and to study the thermal performance of the battery module under various cooling schemes. The results show that the effective thermal conductivity of PCM/TPMS composites reaches 21 W/(m & sdot;K), which can effectively enhance the heat absorption rate of PCM. In particular, the I-graph-and-wrapped-package (IWP) structure combined with PCM is the most effective. Under the continuous cooling scheme, when the coolant flow rate is 0.04 m/s, the temperature of the battery at a 3C discharge rate can be controlled at 308.28 K, but the PCM utilization rate is only 0.25. After adopting the delayed cooling scheme, the performance of the BTMS cooling remains excellent, with the battery temperature at only 309.88 K and the liquid phase rate of PCM reaching 0.97. For the first time, the heat absorbed by passive cooling is comparable to that of active cooling in the BTMS heat absorption energy distribution, with a 73 % reduction in pumping energy consumption. Furthermore, under cycling conditions, the delayed cooling scheme still performs well, keeping the battery temperature below 313.15 K. In addition, it should be noted that the flow rate of the coolant should be determined by the charging rate. Additionally, the BTMS is capable of addressing the heat dissipation challenges in different ambient temperatures. This study can guide for

关键词： Phase change material Triply periodic minimal surface Delayed cooling scheme Battery thermal management system

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Willmore-type inequality in unbounded convex sets

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JOURNAL OF THE LONDON MATHEMATICAL SOCIETY-SECOND SERIES 2025年第3期111卷

作者： Jia, Xiaohan wang, Guofang Xia, Chao Zhang, xuwen Southeast Univ Sch Math Nanjing Peoples R China Univ Freiburg Math Inst Ernst Zermelo Str1 D-79104 Freiburg Germany Xiamen Univ Sch Math Sci Xiamen Peoples R China

In this paper, we prove the following Willmore-type inequality: on an unbounded closed convex set K subset of Rn+1$K\subset \mathbb {R}{n+1}$ (n >= 2$(n\geqslant 2$), for any embedded hypersurface Sigma subset of K...

In this paper, we prove the following Willmore-type inequality: on an unbounded closed convex set K subset of Rn+1$K\subset \mathbb {R}<^>{n+1}$ (n >= 2$(n\geqslant 2$), for any embedded hypersurface Sigma subset of K${\Sigma }\subset K$ with boundary partial derivative Sigma subset of partial derivative K$\partial {\Sigma }\subset \partial K$ satisfying a certain contact angle condition, there holds 1n+1 integral Sigma HndA >= AVR(K)|Bn+1|.$$\begin{equation*} {\frac{1}{n+1}\int _{{\Sigma }}{\left|{H}\right|}<^>n d A\geqslant \rm AVR}(K)\vert \mathbb {B}<^>{n+1}\vert . \end{equation*}$$Moreover, equality holds if and only if Sigma${\Sigma }$ a part of a sphere and K\Omega$K\setminus \Omega$ is a part of the solid cone determined by Sigma${\Sigma }$. Here, Omega$\Omega$ is the bounded domain enclosed by Sigma${\Sigma }$ and partial derivative K$\partial K$, H$H$ is the normalized mean curvature of Sigma${\Sigma }$, and AVR(K)${\rm AVR}(K)$ is the asymptotic volume ratio of K$K$. We also prove an anisotropic version of this Willmore-type inequality. As a special case, we obtain a Willmore-type inequality for anisotropic capillary hypersurfaces in a half-space.

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成品油管道顺序输送中混油界面检测方法的研究

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石化技术 2020年第4期27卷 108-109页

作者：王绪文中国石油工程项目管理公司天津分公司天津300457

不同标号的成品油在通过外输管道交替输送的过程中都会产生混油。混油的出现将会降低油品品质,还会增加油品处理成本,及时准确掌握混油界面情况,对安全生产具有重大意义。本文介绍一种近年来在油品分析领域成功应用的一种新型技术--信... 详细信息

不同标号的成品油在通过外输管道交替输送的过程中都会产生混油。混油的出现将会降低油品品质,还会增加油品处理成本,及时准确掌握混油界面情况,对安全生产具有重大意义。本文介绍一种近年来在油品分析领域成功应用的一种新型技术--信息融合技术,阐述其基本原理及在工程中的应用。

关键词：成品油管道顺序输送混油信息融合技术

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The synthesis of an iron tailings-based geopolymer with synergistic electromagnetic wave consumption property

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ENVIRONMENTAL RESEARCH 2025年 268卷 120744页

作者： wang, Tianyu Ning, xuwen Yang, Lang Rao, Feng Jiang, Kaixi Fuzhou Univ Sch Mat Sci & Engn Fuzhou 350108 Fujian Peoples R China Fuzhou Univ Zijin Sch Geol & Min Fuzhou 350108 Fujian Peoples R China Fuzhou Univ Fujian Key Lab Green Extract & High Value Utilizat Fuzhou 350108 Fujian Peoples R China

In this study, combination of wave absorption materials with different loss mechanisms are added into iron ore tailings-blast furnace slag (IOT-BFS) based geopolymers. The employed materials are hollow glass microsphere (HGM), carbon nanotubes (CNT) and carbonyl iron powder (CIP). Microstructures of the geopolymers are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and concrete porous structure analyzer. Conductivity and electromagnetic absorption property of the geopolymers are measured by a conductivity tester and a vector network analyzer (VNA). As increasing the content of wave absorption materials, compressive strength of the geopolymer decreased from 60.5 to 33.8 MPa. Compared with geopolymers containing HGM and CNT, wave absorption band below -5 dB of the geopolymers with HGM and CIP was wider, particularly at frequencies below 7 GHz, due to the synergism of space and magnetic loss. Its absorption bandwidth with the reflection loss less than -5 dB reaches 15.6 GHz. This study gives a clue for preparation of geopolymers with satisfactory electromagnetic wave absorption properties in the utilization as construction materials.

关键词： Geopolymers Electromagnetic wave absorption Iron ore tailings Microstructure

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