检索结果-南通市图书馆

Deep learning for drug-drug interaction prediction:A comprehensive review

在线全文

学校读者我要写书评

暂无评论

Quantitative Biology 2024年第1期12卷 30-52页

作者： xinyue Li Zhankun Xiong wen Zhang Shichao Liu College of Informatics Huazhong Agricultural UniversityWuhanChina

The prediction of drug-drug interactions(DDIs)is a crucial task for drug safety research,and identifying potential DDIs helps us to explore the mechanism behind combinatorial therapy.Traditional wet chemical experiments for DDI are cumbersome and time-consuming,and are too small in scale,limiting the efficiency of DDI predictions.Therefore,it is particularly crucial to develop improved computational methods for detecting drug interactions.With the development of deep learning,several computational models based on deep learning have been proposed for DDI prediction.In this review,we summarized the high-quality DDI prediction methods based on deep learning in recent years,and divided them into four categories:neural network-based methods,graph neural network-based methods,knowledge graph-based methods,and multimodal-based methods.Furthermore,we discuss the challenges of existing methods and future potential perspectives.This review reveals that deep learning can significantly improve DDI prediction performance compared to traditional machine learning.Deep learning models can scale to large-scale datasets and accept multiple data types as input,thus making DDI predictions more efficient and accurate.

关键词： deep learning drug-drug interactions graph neural network knowledge graph multimodal deep learning neural network

Close-packed layer spacing as a practical guideline for structure symmetry manipulation of IV-VI/I-V-VI_(2) thermoelectrics

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

InfoMat 2024年第2期6卷 99-106页

作者： Tao Jin Long Yang xinyue Zhang wen Li Yanzhong Pei Interdisciplinary Materials Research Center School of Materials Science and EngineeringTongji UniversityShanghaithe People's Republic of China

The crystal-structure symmetry in real space can be inherited in the reciprocal space,making high-symmetry materials the top candidates for thermoelectrics due to their potential for significant electronic band degeneracy.A practical indicator that can quantitatively describe structural changes would help facilitate the advanced thermoelectric material design.In face-centered cubic structures,the spatial environment of the same crystallographic plane family is isotropic,such that the distances between the close-packed layers can be derived from the atomic distances within the layers.Inspired by this,the relationship between inter-and intra-layer geometric information can be used to compare crystal structures with their desired cubic symmetry.The close-packed layer spacing was found to be a practical guideline of crystal structure symmetry in IV-VI chalcogenides and I-V-VI_(2) ternary semiconductors,both of which are historically important thermoelectrics.The continuous structural evolution toward high symmetry can be described by the layer spacing when temperature or/and composition change,which is demonstrated by a series of pristine and alloyed thermoelectric materials in this work.The layerspacing-based guideline provides a quantitative pathway for manipulating crystal structures to improve the electrical and thermal properties of thermoelectric materials.

关键词： phase transition structure manipulation thermoelectric materials x-ray diffraction

Gain deeper insights into traditional Chinese medicines using multidimensional chromatography combined with chemometric approaches

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Herbal Medicines 2024年第1期16卷 27-41页

作者： xinyue Yang Pingping Zeng Jin wen Chuanlin Wang Liangyuan Yao Min He Department of Pharmaceutical Engineering School of Chemical EngineeringXiangtan UniversityXiangtan 411105China Hunan Qianjin Xiangjiang Pharmaceutical Joint Stock Co. Ltd.Zhuzhou 412000China

Traditional Chinese medicines(TCMs)possess a rich historical background,unique theoretical framework,remarkable therapeutic efficacy,and abundant resources.However,the modernization and internationalization of TCMs have faced significant obstacles due to their diverse ingredients and unknown mechanisms.To gain deeper insights into the phytochemicals and ensure the quality control of TCMs,there is an urgent need to enhance analytical techniques.Currently,two-dimensional(2D)chromatography,which incorporates two independent separation mechanisms,demonstrates superior separation capabilities compared to the traditional one-dimensional(1D)separation system when analyzing TCMs samples.Over the past decade,new techniques have been continuously developed to gain actionable insights from complex samples.This review presents the recent advancements in the application of multidimensional chromatography for the quality evaluation of TCMs,encompassing 2D-gas chromatography(GC),2D-liquid chromatography(LC),as well as emerging three-dimensional(3D)-GC,3D-LC,and their associated data-processing approaches.These studies highlight the promising potential of multidimensional chromatographic separation for future phytochemical analysis.Nevertheless,the increased separation capability has resulted in higher-order data sets and greater demands for data-processing tools.Considering that multidimensional chromatography is still a relatively nascent research field,further hardware enhancements and the implementation of chemometric methods are necessary to foster its robust development.

关键词： chemometrics multidimensional separation off-line two-dimensional liquid chromatography on-line two-dimensional liquid chromatography quality control traditional chinese medicines two-dimensional gas chromatography

Photo-manipulated polyunsaturated fatty acid-doped liposomal hydrogel for flexible photoimmunotherapy

在线全文

学校读者我要写书评

暂无评论

Chinese Chemical Letters 2024年第4期35卷 268-274页

作者： xinyue Lan Junguang Liang Churan wen Xiaolong Quan Huimin Lin Qinqin Xu Peixian Chen Guangyu Yao Dan Zhou Meng Yu Breast Center Department of General SurgeryNanfang HospitalSouthern Medical UniversityGuangzhou 510515China NMPA Key Laboratory for Research and Evaluation of Drug Metabolism&Guangdong Provincial Key Laboratory of New Drug Screening School of Pharmaceutical SciencesSouthern Medical UniversityGuangzhou 510515China Department of Breast Surgery The First People's Hospital of FoshanFoshan 528100China Zhujiang Hospital Southern Medical UniversityGuangzhou 510282China

Despite the synergy of immune checkpoint blockade(ICB) therapy and photodynamic therapy(PDT) holds great promise as countermeasures against breast cancer, exploring long-term or flexible short-time therapeutic strategies in “cold” tumors remains a great challenge. Here, we present a polyunsaturated fatty acid-doped liposomal hydrogel Lp(DHA)@CP Gel loaded with photosensitizer chlorin e6(Ce6) and programmed death-ligand 1 antibody(αPD-L1) for flexible local photoimmunotherapy with merely singledosed administration. The presence of polyunsaturated fatty acid(docosahexaenoic acid, DHA) doped in particle membrane endows liposomes with flexibly reactive oxygen species(ROS)-responsive release capability, which was attributed to the presence of abundant unsaturated groups. The αPD-L1 was repeatedly induced to in situ release in response to the PDT under photo-exposure. The immunogenic cell death(ICD) effect of PDT evoked “cold” breast tumor to “hot” one, and then assisted the cascade releasedαPD-L1 to synergistically boost the immunotherapy. After a single dose of peritumoral administration of Lp(DHA)@CP Gel, the on-demand treatment can maximize patient compliance and safety by adjusting therapeutic behaviors via a photo on-off switch. This work presents a flexible medication platform,showing promise in improving the objective response rate of ICB therapy and minimizing its systemic toxicity.

关键词： Photodynamic therapy Immunotherapy Responsive release Immunogenic cell death Liposomal hydrogel

Combining network pharmacology， molecular docking， and experimental verification to investigate the anti-rheumatoid arthritis effect and mechanism of Baeckea frutescens leaves

在线全文

学校读者我要写书评

暂无评论

Food Science and Human Wellness 2024年

作者： Xueyang Guo Mengyao Zhang Haixia Cai xinyue Jiang Siyuan Zhou wen Gong Zijiao Wei Weili Qiao Beixi Jia Department of Pharmacognosy School of Pharmaceutical Science Zhengzhou University Department of Pharmacy Henan Provincial People's Hospital

The aromatic Baeckea frutescens leaves (BFL) known as “Gang-Song-Cha” is a popular drink (Tea) in South China. To explore the healthcare value， a systematic and in-depth study on BFL alleviating rheumatoid arthritis (RA) was carried out by integrating network pharmacology， molecular docking， and experimental verification. The efficacy was first evaluated， and the BFL extract could ameliorate RA by inhibiting articular swelling， lowering immune organ index， improving the ankle pathologies， and regulating serum levels of TNF-α， IL-6， and IL-10 in CIA rats. Then the anti-RA mechanism of BFL was investigated by leveraging the high-content and active component 5-hydroxy-7-methoxy-2-isopropylchromone (Chro.)， and the potential signaling pathway and related target proteins for Chro. acting on RA were analyzed by KEGG enrichment and docking simulation. Finally， the experimental validations were conducted on RA-FLS cells， and compound Chro. could inhibit cell invasion and migration， block cell cycle at G2/M phase and induce apoptosis， and reduce the secretion of inflammatory cytokines by suppressing the PI3K-Akt pathway. These results provided pharmacological basis for the folk usage of “Gang-Song-Cha (Tea)” for intervening RA.

关键词：

Human Monoclonal Antibodies: On the Menu of Targeted Therapeutics Against COVID-19

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Virologica Sinica 2020年第6期35卷 713-724页

作者： Junsen Chen Rui Huang Yiwen Nie xinyue wen Ying Wu State Key Laboratory of Virology School of Basic Medical SciencesWuhan UniversityWuhan 430072China Hubei Province Key Laboratory of Allergy and Immunology Wuhan 430072China

Coronavirus disease 2019(COVID-19), reminiscent of the severe acute respiratory syndrome(SARS) outbreak in 2003,has been a tragic disaster to people all over the world. As there is no specific drug for COVID-19, neutralizing antibodies are attracting more and more attention as one of the most effective means to combat the pandemic. Here, we introduced the etiological and serological characteristics of COVID-19, discussed the current stage of development of human monoclonal antibodies against SARS-CoV-2 and summarized the antigenic epitopes in the S glycoprotein, which may deepen the understanding of the profile of immune recognition and response against SARS-CoV-2 and provide insight for the design of effective vaccines and antibody-based therapies.

关键词： COVID-19 mAbs S glycoprotein Epitopes

Rearrangement of Actin Cytoskeleton by Zika Virus Infection Facilitates Blood–Testis Barrier Hyperpermeability

在线全文

学校读者我要写书评

暂无评论

Virologica Sinica 2021年第4期36卷 692-705页

作者： Yiwen Nie Lixia Hui Moujian Guo Wei Yang Rui Huang Junsen Chen xinyue wen Meng Zhao Ying Wu State Key Laboratory of Virology School of Basic Medical SciencesWuhan UniversityWuhan 430072China Hubei Province Key Laboratory of Allergy and Immunology Wuhan 430071China

In recent years,various serious diseases caused by Zika virus(ZIKV)have made it impossible to be ignored.Confirmed existence of ZIKV in semen and sexually transmission of ZIKV suggested that it can break the blood–testis barrier(BTB),or Sertoli cell barrier(SCB).However,little is known about the underlying mechanism.In this study,interaction between actin,an important component of the SCB,and ZIKV envelope(E)protein domainⅢ(EDⅢ)was inferred from coimmunoprecipitation(Co-IP)liquid chromatography–tandem mass spectrometry(LC–MS/MS)analysis.Confocal microscopy confirmed the role of actin filaments(F-actin)in ZIKV infection,during which part of the stress fibers,the bundles that constituted by paralleled actin filaments,were disrupted and presented in the cell periphery.Colocalization of E and reorganized actin filaments in the cell periphery of transfected Sertoli cells suggests a participation of ZIKV E protein in ZIKV-induced F-actin rearrangement.Perturbation of F-actin by cytochalasin D(CytoD)or Jasplakinolide(Jas)enhanced the infection of ZIKV.More importantly,the transepithelial electrical resistance(TEER)of an in vitro mouse SCB(mSCB)model declined with the progression of ZIKV infection or overexpression of E protein.Co-IP and confocal microscopy analyses revealed that the interaction between F-actin and tight junction protein ZO-1 was reduced after ZIKV infection or E protein overexpression,highlighting the role of E protein in ZIKV-induced disruption of the BTB.We conclude that the interaction between ZIKV E and F-actin leads to the reorganization of F-actin network,thereby compromising BTB integrity.

关键词： Zika virus(ZIKV) Envelope protein Actin filaments Sertoli cell barrier(SCB) Blood-testis barrier(BTB)

在线全文

学校读者我要写书评

暂无评论

基于双离散变量遗传算法的洗舱站选址研究

中国航海 2024年第1期47卷 121-130页

作者：王新月马晓凤文元桥交通排放控制监测技术实验室北京100028 中国汽车技术研究中心有限公司天津300300 武汉理工大学智能交通系统研究中心湖北武汉430063 武汉理工大学国家水运安全工程技术研究中心湖北武汉430063

针对洗舱站选址与规模问题,首先引入“港口洗舱热度值”的概念,确定各个港口潜在的洗舱市场;其次以系统总成本最低为目标函数,以洗舱站位置与规模为决策变量,建立洗舱站选址模型,采用双染色体遗传算法求解模型,利用基于港口洗舱热度值... 详细信息

针对洗舱站选址与规模问题,首先引入“港口洗舱热度值”的概念,确定各个港口潜在的洗舱市场;其次以系统总成本最低为目标函数,以洗舱站位置与规模为决策变量,建立洗舱站选址模型,采用双染色体遗传算法求解模型,利用基于港口洗舱热度值的初始解选择策略、自适应交叉变异概率、精英保留策略对算法进行改进;最后以长江部分航段为案例进行实例分析。结果表明:求解大规模问题时,遗传算法在求解效率上优于Lingo求解器;选址结果集中在洗舱热度值靠前的港口;所选案例建设6座洗舱站时空载距离最小,为250千米/(艘·年)左右。

关键词：洗舱站选址离散变量遗传算法

高糖环境下肝细胞外泌体对胰腺癌细胞迁移与侵袭能力的影响

在线全文

学校读者我要写书评

暂无评论

中国普通外科杂志 2024年第3期33卷 376-385页

作者：杨昊长许永宁廖嘉华杨馨玥秦雯广西医科大学基础医学院病理生理学教研室广西南宁530021 广西医科大学附属武鸣医院病理科广西南宁530199 广西医科大学第二附属医院病理科广西南宁530005

背景与目的:在肿瘤微环境的影响和调控下,一些非肿瘤细胞通过外泌体在肿瘤的转移中起着关键作用。研究表明在胰腺癌中,高糖微环境可以促进其侵袭和转移。肝脏既是糖代谢的重要器官,也是胰腺癌转移的高发器官,胰腺癌肝转移的机制尚不清... 详细信息

背景与目的:在肿瘤微环境的影响和调控下,一些非肿瘤细胞通过外泌体在肿瘤的转移中起着关键作用。研究表明在胰腺癌中,高糖微环境可以促进其侵袭和转移。肝脏既是糖代谢的重要器官,也是胰腺癌转移的高发器官,胰腺癌肝转移的机制尚不清楚。因此,本研究探讨在高糖微环境下肝细胞分泌的外泌体对胰腺癌细胞侵袭、迁移的影响及机制。方法:将永生化肝细胞MIHA分别在高糖与正常糖培养基中培养后,从上清液中提取外泌体,并通过透射电镜、粒径分析和Western blot对两种培养基来源的外泌体进行鉴定;用荧光染料PKH67标记两种培养基来源的外泌体后,分别与荧光染料DAPI标记的胰腺癌细胞PANC-1共培养,通过实时激光扫描共聚焦显微镜观察PANC-1细胞对外泌体的吞噬情况。将PANC-1细胞分别与高糖培养基来源的外泌体(高糖组)及正常糖培养基来源的外泌体(正常糖组)共培养,以未加外泌体培养的PANC-1细胞为阴性对照组,随后分别用划痕试验、Transwell实验检测各组PANC-1细胞的迁移与侵袭能力,用Western blot检测各组PANC-1细胞中上皮-间充质转化(EMT)相关蛋白E-cadherin和N-cadherin的表达。结果:透射电镜显示,从MIHA细胞的两种培养基上清液中均提取出较多具有脂质双层膜结构的球形囊泡,直径为40~150 nm;Western blot显示提取物的外泌体标志蛋白CD9和CD63均为阳性;实时激光扫描共聚焦显微镜观察到两种培养基来源的外泌体均可被PANC-1细胞摄取。划痕试验与Transwell实验结果显示,高糖组PANC-1细胞的迁移率、迁移细胞数、侵袭细胞数均明显高于阴性对照组(均P0.05)结论:高糖环境下肝细胞来源的外泌体能够促进胰腺癌细胞的侵袭、迁移,其作用机制可能与调控胰腺癌细胞EMT相关蛋白的表达有关。

关键词：胰腺肿瘤肿瘤微环境高血糖症外泌体肿瘤浸润上皮-间质转化