hot spots

热点
  • 文章类型: Journal Article
    表皮生长因子受体(EGFR)的激活突变已被确定为非小细胞肺癌(NSCLC)中EGFR酪氨酸激酶抑制剂(TKIs)定制治疗的关键预测性生物标志物,帮助提高患者的反应率和生存率。然而,耐药性挑战了这些治疗的功效,对耐药后治疗策略的理解有限。深入了解EGFR突变NSCLC的生物学和耐药机制对于开发新的治疗方法至关重要。这项研究,通过文献计量分析,总结了EGFR-TKIs耐药的研究趋势。
    关于具有EGFR抑制剂抗性的NSCLC的研究论文来自WebofScienceCoreCollection(WoSCC)。该分析使用了诸如CiteSpace之类的文献计量工具,VOSviewer,和其他平台,用于全面分析和可视化结果。
    WoSCC数据库总共包含5866个关于EGFR-TKIs治疗耐药的文件,包括4727篇文章(93.48%)和1139篇评论(6.52%),跨越81个国家和地区,4792个机构,涉及23,594名作者。自2016年以来,该领域的出版物大幅增加。中国的出版物产量最高,而美国的论文引用次数最高。哈佛大学在出版物数量方面处于领先地位。在产量最高的十大期刊中,临床癌症研究的影响因子最高,为11.5,90%的期刊在Q1或Q2分类。拉斐尔·罗塞尔是这一领域最有影响力的作家之一,在出版量中排名第二,在引文计数中排名第四。EGFR-TKIs耐药的研究主要集中在基因检测,抵抗机制,和耐药后治疗策略。
    这项研究为研究人员寻找权威参考提供了可靠的依据和指导,了解研究趋势,探索潜在的方向。
    UNASSIGNED: Activating mutations in epidermal growth factor receptor (EGFR) have been identified as key predictive biomarkers for the customized treatment with EGFR tyrosine kinase inhibitors (TKIs) in non-small cell lung cancer (NSCLC), aiding in improving patient response rates and survival. However, resistance challenges the efficacy of these treatments, with limited understanding of post-resistance therapeutic strategies. A deep understanding of the biology and resistance mechanisms of EGFR-mutant NSCLC is crucial for developing new treatment approaches. This study, through bibliometric analysis, summarizes the trends in research on resistance to EGFR-TKIs.
    UNASSIGNED: Research papers on NSCLC with EGFR inhibitor resistance were collected from the Web of Science Core Collection (WoSCC). The analysis utilized bibliometric tools like CiteSpace, VOSviewer, and other platforms for comprehensive analysis and visualization of the outcomes.
    UNASSIGNED: The WoSCC database contains a total of 5866 documents on resistance to EGFR-TKIs treatment, including 4727 articles (93.48%) and 1139 reviews (6.52%), spanning 81 countries and regions, 4792 institutions, with the involvement of 23,594 authors. Since 2016, there has been a significant increase in publications in this field. China has the highest publication output, while the United States has the highest citation count for papers. Harvard University leads in terms of the number of publications. Among the top ten journals with the highest output, Clinical Cancer Research has the highest impact factor at 11.5, with 90% of the journals classified in Q1 or Q2. Rafael Rosell is one of the most influential authors in this field, ranking second in publication volume and fourth in citation count. Research on EGFR-TKIs resistance mainly focuses on genetic testing, resistance mechanisms, and post-resistance treatment strategies.
    UNASSIGNED: This study provides researchers with a reliable basis and guidance for finding authoritative references, understanding research trends, and exploring potential directions.
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  • 文章类型: Journal Article
    牛奶中黄曲霉毒素M1(AFM1)的检测对食品安全至关重要。这里,我们利用光纤(FO)局域表面等离子体共振(LSPR)生物传感器通过构建金纳米粒子(AuNP)多聚体,其中纳米间隙通过热点效应放大了LSPR信号,并实现了对fAFM1的高灵敏度检测。通过对传感器和检测系统制作参数条件的优化,从FOLSPR生物传感器获得了高性能的结果,建立了AFM1检测方法,具有0.05-100ng/mL的宽检测范围和0.04ng/mL的低检测限(LOD),它已经成功地验证了实际样品牛奶。因此,通过构建AuNP多聚体来制造高灵敏度的FOLSPR传感器来检测AFM1是一个很好的策略,这种方法适用于开发其他生物传感器。
    The detection of the amount of aflatoxin M1 (AFM1) in milk is crucial for food safety. Here, we utilize a fiber optic (FO) localized surface plasmon resonance (LSPR) biosensor by constructing gold nanoparticle (AuNP) multimers, in which the nanogaps amplified the LSPR signal by the hot spot effect, and achieved a highly sensitive detection of f AFM1. Through the optimization of parameter conditions for the fabrication of the sensor and detection system, a high performance result from the FO LSPR biosensor was obtained, and the method for AFM1 detection was established, with a wide detection range of 0.05-100 ng/mL and a low limit of detection (LOD) of 0.04 ng/mL, and it has been successfully validated with the actual sample milk. Therefore, it is a good strategy to fabricate highly sensitive FO LSPR sensors for detecting AFM1 by constructing AuNP multimers, and this approach is suitable for developing other biosensors.
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  • 文章类型: Journal Article
    蛋白质-DNA复合物相互作用在基因表达等生物活性中起着至关重要的作用,修改,复制和转录。了解蛋白质-DNA结合界面热点的生理意义,以及计算生物学的发展,取决于这些区域的精确识别。在本文中,提出了一种称为EC-PDH的热点预测方法。首先,我们提取了这些热点的特征\'固体溶剂可及表面积(ASA)和二级结构,然后是意思,方差,通过经验模态分解算法(EMD)提取这些传统特征的前三个固有模态分量(IMFs)的能量和自相关函数值作为新特征。总共获得218个维度特征。对于特征选择,我们使用最大相关最小冗余序列正向选择方法(mRMR-SFS)来获得最佳的11维特征子集。为了解决数据不平衡的问题,我们使用SMOTE-Tomek算法来平衡正负样本,最后使用cat梯度增强(CatBoost)构建蛋白质-DNA结合界面的热点预测模型.我们的方法在测试集上表现良好,AUC,MCC和F1得分值分别为0.847、0.543和0.772。经过比较评估,EC-PDH在识别热点方面优于现有的最先进的方法。
    Protein-DNA complex interactivity plays a crucial role in biological activities such as gene expression, modification, replication and transcription. Understanding the physiological significance of protein-DNA binding interfacial hot spots, as well as the development of computational biology, depends on the precise identification of these regions. In this paper, a hot spot prediction method called EC-PDH is proposed. First, we extracted features of these hot spots\' solid solvent-accessible surface area (ASA) and secondary structure, and then the mean, variance, energy and autocorrelation function values of the first three intrinsic modal components (IMFs) of these conventional features were extracted as new features via the empirical modal decomposition algorithm (EMD). A total of 218 dimensional features were obtained. For feature selection, we used the maximum correlation minimum redundancy sequence forward selection method (mRMR-SFS) to obtain an optimal 11-dimensional-feature subset. To address the issue of data imbalance, we used the SMOTE-Tomek algorithm to balance positive and negative samples and finally used cat gradient boosting (CatBoost) to construct our hot spot prediction model for protein-DNA binding interfaces. Our method performs well on the test set, with AUC, MCC and F1 score values of 0.847, 0.543 and 0.772, respectively. After a comparative evaluation, EC-PDH outperforms the existing state-of-the-art methods in identifying hot spots.
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  • 文章类型: Journal Article
    脑电图(EEG)是神经科学中广泛使用的工具。探讨过去十年来与脑电图和衰老相关的前100篇文章的特点,我们使用截至2024年1月21日的WebofScience核心合集(WoSCC)数据进行了文献计量分析.使用VOSviewer和Excel对选定的前100篇论文进行分析。我们检查了出版年份的分布,作者,机构,国家/地区,和期刊。通过关键词分析确定了热点。分析的文章发表在2014年至2021年之间,大部分发表在2020年之前(n=91)。WoSCC中的引文计数范围为24至250,中位数为40,平均值为53。来自35个国家/地区的283个机构的818名作者为这些顶级论文做出了贡献。美利坚合众国(美国)(n=37),德国(n=14),和加拿大(n=11)在总出版物或引文方面排名前三。主要期刊是神经科学领域(n=58),老年医学与老年学(n=22),临床神经病学(n=13),麻醉学(n=9),发表了大部分高质量的文章。关键主题包括脑电图,老化,老年痴呆症,轻度认知障碍,功能连接,和阿尔法振荡。新兴话题包括睡眠,机器学习,谵妄,术后认知功能,虚拟现实,监测,静止状态,连贯性,和经颅直流电刺激。总之,本研究全面概述了过去十年有关脑电图在衰老中的科学文献趋势.来自北美的作者和机构,欧洲,东亚带头捐款。专注于神经科学的期刊,老年病学,麻醉学发表了大部分文章。退行性神经疾病和认知障碍是突出的话题,建议未来的研究应该探索脑电图对这些疾病的诊断效用。
    Electroencephalography (EEG) is a widely used tool in neuroscience. To explore the features of the top 100 cited articles related to EEG and aging over the past decade, we conducted a bibliometric analysis using Web of Science Core Collection (WoSCC) data as of January 21, 2024. The selected top 100 cited papers were analyzed using VOSviewer and Excel. We examined the distribution of publication years, authors, institutions, countries/regions, and journals. Hotspots were identified through keyword analysis. The analyzed articles were published between 2014 and 2021, with the majority being published before 2020 (n=91). Citation counts in WoSCC ranged from 24 to 250, with a median of 40 and a mean of 53. A total of 818 authors from 283 institutions in 35 countries/territories contributed to these top papers. The United States of America (USA) (n=37), Germany (n=14), and Canada (n=11) ranked in the top three in terms of total publications or citations. The predominant journals were in the fields of Neuroscience (n=58), Geriatrics & Gerontology (n=22), Clinical Neurology (n=13), and Anesthesiology (n=9), which published most of the high-quality articles. Key themes included EEG, aging, Alzheimer\'s disease, mild cognitive impairment, functional connectivity, and alpha oscillations. Emerging topics included sleep, machine learning, delirium, postoperative cognitive function, virtual reality, monitoring, resting state, coherence, and transcranial direct current stimulation. In conclusion, this study provides a comprehensive overview of the trends in scientific literature on EEG in aging over the past decade. Authors and institutions from North America, Europe, and East Asia led in contributions. Journals focusing on neuroscience, geriatrics, and anesthesiology published the majority of articles. Degenerative neurological diseases and cognitive impairment were prominent topics, suggesting future studies should explore EEG\'s diagnostic utility for these disorders.
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  • 文章类型: Journal Article
    邻苯二甲酸酯类增塑剂(PAEs)在食品中的非法使用对人类健康构成极大威胁。需要设计和开发一种用于灵敏检测生物流体中PAE残留的新型高效传感平台。这里,我们报告了一个简单可靠的表面增强拉曼光谱(SERS)活性平台,具有Au纳米金字塔@Ag纳米棒(AuNBPs@AgNRs)的热点,可快速,灵敏地检测生物流体中的PAEs。为了实现高活性,通过控制合成条件,制备了具有不同壳长度的AuNBPs@AgNRs,用结晶紫(CryV)和邻苯二甲酸丁酯苄酯(BBP)研究了相应的SERS性能。实验结果表明,更长的壳长度与更大的拉曼活性相关,时域有限差分(FDTD)电磁仿真证实了这一点。更重要的是,AuNBPs@AgNRSERS活性底物的外热点对CryV探针分子表现出优异的均匀性和再现性(6.21%),BBP和邻苯二甲酸二乙基己酯(DEHP)的检出限为10-9M。此外,通过标准添加方法,超热点SERS基底可以实现血清和泪液中BBP和DEHP的高灵敏度检测,检测限低至3.52×10-8M和2.82×10-8M。AuNBP@AgNR基材具有非常长的表面是有效和通用的,可用于复杂生物流体的高效传感分析。
    Phthalate plasticizers (PAEs) illegally used in food pose a great threat to human health. A new and efficient sensing platform for the sensitive detection of the PAE residues in biological fluids needs to be designed and developed. Here, we report a simple and reliable surface-enhanced Raman spectroscopy (SERS) active platform with extralong hot spots of Au nanobipyramids@Ag nanorods (Au NBPs@Ag NRs) for the rapid and sensitive detection of PAEs in biological fluids. To achieve high activity, Au NBPs@Ag NRs with different shell lengths were fabricated by controlling the synthesis conditions, and the corresponding SERS properties were investigated by using crystal violet (CryV) and butyl benzyl phthalate (BBP). The experimental results showed that a longer shell length correlated to greater Raman activity, which was confirmed by finite-difference time-domain (FDTD) electromagnetic simulation. More importantly, the extralong hot spots of the Au NBPs@Ag NR SERS-active substrate showed excellent homogeneity and reproducibility for the CryV probe molecules (6.21%), and the detection limit was 10-9 M for both BBP and diethylhexyl phthalate (DEHP). Furthermore, through the standard addition method, an extralong hot spots SERS substrate could achieve highly sensitive detection of BBP and DEHP in serum and tears fluids, and the detection limit was as low as 3.52 × 10-8 M and 2.82 × 10-8 M. Therefore, the Au NBPs@Ag NR substrate with an extraordinarily long surface is efficient and versatile, and can potentially be used for high-efficiency sensing analysis in complex biological fluids.
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  • 文章类型: Journal Article
    道路安全研究的方法进步表明,在热点识别中集成空间方法的倾向越来越大,空间模式分析,并开发空间滞后模型。以往关于热点识别和空间模式分析的研究忽视了碰撞严重度和碰撞严重度的空间自相关,缺少对崩溃模式和潜在因素的宝贵见解。本研究以两个省会城市为研究对象,研究了撞车严重程度的空间自相关,亚的斯亚贝巴和柏林,作为案例研究,并比较了低收入和高收入国家的模式。该研究使用了每个城市的三年撞车数据。它采用了平均最近邻距离(ANND)方法来确定按严重程度对碰撞数据进行空间聚类的重要性,全球莫兰I检验了空间自相关的统计意义,和LocalMoran'sI来识别具有高-高(HH)和低-低(LL)崩溃严重性值的重要集群位置。ANND分析显示,在这两个城市中,按严重程度划分的撞车事故都有显著的聚类,除了柏林的致命车祸.然而,这两个城市获得了不同的全球莫兰I结果,与柏林相比,亚的斯亚贝巴具有很强的统计意义。当地莫兰I的结果表明,中央商务区和住宅区具有LL值,而该市郊区在亚的斯亚贝巴展示HH值。对于一些持久的HH值位置,柏林的HH和LL网格集群混合在城市的外围。社会经济因素,道路使用者行为和道路因素导致了结果的差异。然而,有趣的是,注意到两个城市郊区的重要HH值位置的相似性。最后,结果与之前的研究一致,表明需要在其他地点进行进一步调查.
    Methodological advancements in road safety research reveal an increasing inclination toward integrating spatial approaches in hot spot identification, spatial pattern analysis, and developing spatially lagged models. Previous studies on hot spot identification and spatial pattern analysis have overlooked crash severities and the spatial autocorrelation of crashes by severity, missing valuable insights into crash patterns and underlying factors. This study investigates the spatial autocorrelation of crash severity by taking two capital cities, Addis Ababa and Berlin, as a case study and compares patterns in low and high-income countries. The study used three-year crash data from each city. It employed the average nearest neighbor distance (ANND) method to determine the significance of spatial clustering of crash data by severity, Global Moran\'s I to examine the statistical significance of spatial autocorrelation, and Local Moran\'s I to identify significant cluster locations with High-High (HH) and Low-Low (LL) crash severity values. The ANND analysis reveals a significant clustering of crashes by severity in both cities, except in Berlin\'s fatal crashes. However, different Global Moran\'s I results were obtained for the two cities, with a strong and statistically significant value for Addis Ababa compared to Berlin. The Local Moran\'s I result indicates that the central business district and residential areas have LL values, while the city\'s outskirts exhibit HH values in Addis Ababa. With some persistent HH value locations, Berlin\'s HH and LL grid clusters are intermingled on the city\'s periphery. Socio-economic factors, road user behavior and roadway factors contribute to the difference in the result. Nevertheless, it is interesting to note the similarity of significant HH value locations on the outskirts of both cities. Finally, the results are consistent with previous studies and indicate the need for further investigation in other locations.
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  • 文章类型: Journal Article
    微波辅助再生的低成本和高效率使其成为常规再生方法的可行替代方案。为了提高再生性能,我们开发了一种耦合电磁,热,和传质模型来研究活性炭在微波辅助再生过程中的传热和传质机理。模拟结果表明,甲苯的解吸过程受温度分布的影响。改变输入功率和流量可以促进热点的强度并调整其分布,分别,从而加速甲苯的解吸,抑制再吸附,提高再生效率。最终,通过控制输入功率和流量,可以灵活调节甲苯的排放量,满足解吸甲苯的处理需求。一起来看,这项研究提供了对微波辅助再生的传热和传质机理的全面了解和对吸附剂再生的见解。
    The low cost and high efficiency of microwave-assisted regeneration render it a viable alternative to conventional regeneration methods. To enhance the regeneration performance, we developed a coupled electromagnetic, heat, and mass transfer model to investigate the heat and mass transfer mechanisms of activated carbon during microwave-assisted regeneration. Simulation results demonstrated that the toluene desorption process is governed by temperature distribution. Changing the input power and flow rate can promote the intensity of hot spots and adjust their distribution, respectively, thereby accelerating toluene desorption, inhibiting readsorption, and promoting regeneration efficiency. Ultimately, controlling the input power and flow rate can flexibly adjust toluene emissions to satisfy the processing demands of desorbed toluene. Taken together, this study provides a comprehensive understanding of the heat and mass transfer mechanisms of microwave-assisted regeneration and insights into adsorbent regeneration.
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  • 文章类型: Journal Article
    传染性COVID-19最近出现并演变成威胁世界的大流行。在两年前采取了严格的预防措施之后,尽管出现了致命的遗传菌株,但全球大多数活动都重新开放。在这种情况下,评估和绘制基于活动特征的热点区域促进传染病传播至关重要。因此,我们的研究问题是:如何根据商业活动的空间规划在城市内部定义COVID-19风险的潜在热点?在我们的研究中,扎耶德和十月的城市,埃及,以各种商业活动为特征,被选为试验台。首先,我们根据疾病控制和预防中心(CDCP)标准和Kriging插值方法分析了每种活动的空间和形态特征以及潜在的感染风险.然后,使用谷歌移动,以前的报告,和半结构化面试,定义了兴趣点和人口流动,并将其与最后一步相结合,作为确定热点的相互关联的水平层。验证研究比较了生成的活动风险图,空间COVID-19病例,土地利用分布采用逻辑回归(LR)和皮尔逊系数(Rxy)。通过可视化分析,我们的研究结果表明,这两个城市的中心地区,包括不相容和集中的商业活动,尽管地区的城市密度中等,但风险峰值(LR=0.903,rxy=0.78),表明仅靠城市密度不足以降低公共卫生风险。建议将基于健康观点的活动空间配置与城市密度一起作为风险评估工具,以制定适当的决策来应对大流行的城市。
    The contagious COVID-19 has recently emerged and evolved into a world-threatening pandemic outbreak. After pursuing rigorous prophylactic measures two years ago, most activities globally reopened despite the emergence of lethal genetic strains. In this context, assessing and mapping activity characteristics-based hot spot regions facilitating infectious transmission is essential. Hence, our research question is: How can the potential hotspots of COVID-19 risk be defined intra-cities based on the spatial planning of commercial activity in particular? In our research, Zayed and October cities, Egypt, characterized by various commercial activities, were selected as testbeds. First, we analyzed each activity\'s spatial and morphological characteristics and potential infection risk based on the Centre for Disease Control and Prevention (CDCP) criteria and the Kriging Interpolation method. Then, using Google Mobility, previous reports, and semi-structured interviews, points of interest and population flow were defined and combined with the last step as interrelated horizontal layers for determining hotspots. A validation study compared the generated activity risk map, spatial COVID-19 cases, and land use distribution using logistic regression (LR) and Pearson coefficients (rxy). Through visual analytics, our findings indicate the central areas of both cities, including incompatible and concentrated commercial activities, have high-risk peaks (LR = 0.903, rxy = 0.78) despite the medium urban density of districts, indicating that urban density alone is insufficient for public health risk reduction. Health perspective-based spatial configuration of activities is advised as a risk assessment tool along with urban density for appropriate decision-making in shaping pandemic-resilient cities.
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  • 文章类型: Journal Article
    生物地球化学热点在氧化还原敏感元素(RSE)的循环和运输中起着至关重要的作用。然而,HZ中RSE热点的转化机制和模式仍然知之甚少。在这项研究中,收集水化学和多同位素(N/C/S/O)数据集以研究RSE的转化机制,探索RSEs转化热点的分布特征。结果表明,关键驱动因素的空间变异性很明显,而RSEs浓度的时间变化不显著,除了溶解的有机碳。细菌硫酸盐还原(BSR)是硫酸盐的主要生物地球化学过程,并在整个地区发生。铵富集主要是由含氮有机质的矿化和人为输入引起的,以吸附为主要衰减机制。碳动力学受到各种生物地球化学过程的影响,溶解的有机碳主要来自C3植物,溶解的无机碳来自碳酸盐岩的风化和有机物的分解。溶解有机碳分解对DIC池的峰值贡献为46.44%。铵富集热点和BSR热点的浓度阈值分别为1.5mg/L和8.84mg/L,分别。RSEs热点的分布格局与水文地质条件密切相关。我们的发现揭示了HZ地区RSEs的复杂演化机制和热点分布特征,为地下水资源的安全利用和保护提供依据。
    Biogeochemical hot spots play a crucial role in the cycling and transport of redox-sensitive elements (RSEs) in the hyporheic zone (HZ). However, the transformation mechanisms of RSEs and patterns of RSEs hot spots in the HZ remain poorly understood. In this study, hydrochemistry and multi-isotope (N/C/S/O) datasets were collected to investigate the transformation mechanisms of RSEs, and explore the distribution characteristics of RSEs transformation hot spots. The results showed that spatial variability in key drivers was evident, while temporal change in RSEs concentration was not significant, except for dissolved organic carbon. Bacterial sulfate reduction (BSR) was the primary biogeochemical process for sulfate and occurred throughout the area. Ammonium enrichment was mainly caused by the mineralization of nitrogenous organic matter and anthropogenic inputs, with adsorption serving as the primary attenuation mechanism. Carbon dynamics were influenced by various biogeochemical processes, with dissolved organic carbon mainly derived from C3 plants and dissolved inorganic carbon from weathering of carbonate rocks and decomposition of organic matter. The peak contribution of dissolved organic carbon decomposition to the DIC pool was 46.44 %. The concentration thresholds for the ammonium enrichment and BSR hot spots were identified as 1.5 mg/L and 8.84 mg/L, respectively. The distribution pattern of RSEs hot spots was closely related to the hydrogeological conditions. Our findings reveal the complex evolution mechanisms and hot spots distribution characteristics of RSEs in the HZ, providing a basis for the safe utilization and protection of groundwater resources.
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  • 文章类型: Journal Article
    采用计算机模拟方法来检查人线粒体硫氧还蛋白2(HsTrx2)与其38个先前鉴定的线粒体蛋白配体之间的相互作用特征。所有的相互作用主要由静电力驱动。HsTrx2相互作用的统计学显著残基被表征为“接触热点”。由于这些与假定的热力学热点相同/相邻,一种能源网络方法确定了它们的邻居,以突出显示可能的联系界面。出现了三个不同的结合区域:(i)一个围绕共价相互作用的活性位点,(ii)活性位点的另一个反足性强的非共价相互作用,和(iii)涉及两种相互作用的第三领域。HsTrx2的接触界面被投影为大肠杆菌Trx1(EcoTrx1)的相应界面,2和HsTrx1。HsTrx2的界面和接触热点与来自现有晶体复合物与蛋白质配体的EcoTx1和HsTrx1的接触残基的比较支持了这一假设,除了与活性位点之前的Trp30相邻的一部分裂口/沟。这项研究的结果提高了合理设计HsTrx2与特定蛋白质配体相互作用的选择性抑制剂的可能性,而不会影响Trx系统的全部功能。
    In silico approaches were employed to examine the characteristics of interactions between human mitochondrial thioredoxin 2 (HsTrx2) and its 38 previously identified mitochondrial protein ligands. All interactions appeared driven mainly by electrostatic forces. The statistically significant residues of HsTrx2 for interactions were characterized as \"contact hot spots\". Since these were identical/adjacent to putative thermodynamic hot spots, an energy network approach identified their neighbors to highlight possible contact interfaces. Three distinct areas for binding emerged: (i) one around the active site for covalent interactions, (ii) another antipodal to the active site for strong non-covalent interactions, and (iii) a third area involved in both kinds of interactions. The contact interfaces of HsTrx2 were projected as respective interfaces for Escherichia coli Trx1 (EcoTrx1), 2, and HsTrx1. Comparison of the interfaces and contact hot spots of HsTrx2 to the contact residues of EcoTx1 and HsTrx1 from existing crystal complexes with protein ligands supported the hypothesis, except for a part of the cleft/groove adjacent to Trp30 preceding the active site. The outcomes of this study raise the possibility for the rational design of selective inhibitors for the interactions of HsTrx2 with specific protein ligands without affecting the entirety of the functions of the Trx system.
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