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Assessing Different Diagnoses in MIMIC-IV v2.2 and MIMIC-IV-ED Datasets 评估 MIMIC-IV v2.2 和 MIMIC-IV-ED 数据集中的不同诊断结果
Pub Date : 2024-01-17 DOI: 10.33696/proteomics.4.014
Muhammad Adib Uz Zaman
This study aims to reveal some important insights into the different diagnoses that are listed in Medical Information Mart for Intensive Care (MIMIC) dataset. This dataset includes patients from diverse backgrounds, ethnicity, demographics, etc. The diagnosis records are stored electronically using ICD-09 and ICD-10 codes. It is found that most of the patients were diagnosed at least once for essential hypertension and other related diseases.
本研究旨在揭示重症监护医学信息市场(MIMIC)数据集中列出的不同诊断的一些重要见解。该数据集包括来自不同背景、种族和人口统计学等方面的患者。诊断记录使用 ICD-09 和 ICD-10 编码以电子方式存储。研究发现,大多数患者至少有一次被诊断为原发性高血压和其他相关疾病。
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引用次数: 0
Antibiotics, Efflux, and pH 抗生素,外排和pH值
Pub Date : 2023-05-23 DOI: 10.33696/proteomics.3.013
Tatiana Hillman
Bacterial metabolism affects the effectiveness of antibiotics. Bacterial metabolism is linked to the ability of an antibiotic to be bactericidal or bacteriostatic because a bacterium can metabolize carbohydrates that affect its pH and its ability to use the proton motive force (PMF). When the pH is low, there is more availability of protons that can help to power the proton motive force needed for the efflux of antibiotics. Antibiotics increase the internal pH of a bacterial cell, but when the external pH is low or acidic, the lethality of the antibiotics dwindles. Adding an efflux inhibitor (EI) can block the efflux of antibiotics; however, the pH also affects the effectiveness of the efflux inhibitor. At a low pH the efflux inhibitor cannot block the efflux of antibiotics. This is important for the effectiveness of EIs to block efflux in acidic bacterial environments such as in the stomach or in the small intestines where the pH is highly acidic and low. However, in the colon the pH is highly alkaline and higher leading to a lesser availability of protons, in which the bacterial cells must rely on carbohydrate metabolism to expel any noxious agent such as an antibiotic via the ATP activation of the ABC transporter. As a consequence, for an efflux inhibitor to be effective the pH and the metabolism of carbohydrates to power the ABC transporter must be considered in the design of potential efflux inhibitors. This commentary will offer support for the arguments made in the article, Reducing bacterial antibiotic resistance by targeting bacterial metabolic pathways and disrupting RND efflux pump activity, by presenting the results of experiments that prove the gene inhibition of the AcrAB-TolC subunits of AcrB and TolC as a potent and effective EI design.
细菌代谢影响抗生素的有效性。细菌代谢与抗生素的杀菌或抑菌能力有关,因为细菌可以代谢影响其pH值和利用质子动力(PMF)能力的碳水化合物。当pH值较低时,有更多的质子可用,可以帮助为抗生素外排所需的质子动力提供动力。抗生素会增加细菌细胞的内部pH值,但当外部pH值较低或呈酸性时,抗生素的致死率就会降低。添加外排抑制剂(EI)可阻断抗生素外排;然而,pH值也会影响外排抑制剂的有效性。在低pH下,外排抑制剂不能阻断抗生素的外排。在酸性细菌环境中,如在pH值高且低的胃或小肠中,这对于ei阻断外排的有效性很重要。然而,在结肠中,pH值是高碱性的,导致质子的可用性较低,细菌细胞必须依靠碳水化合物代谢,通过ABC转运体的ATP激活来排出任何有毒物质,如抗生素。因此,为了使外排抑制剂有效,在设计潜在的外排抑制剂时必须考虑为ABC转运体提供动力的pH值和碳水化合物代谢。这篇评论将通过展示实验结果,证明AcrB和TolC的AcrAB-TolC亚基的基因抑制是一种有效的EI设计,为文章中提出的论点提供支持,通过靶向细菌代谢途径和破坏RND外排泵活性来降低细菌抗生素耐药性。
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引用次数: 1
Commentary on “Integrative Transcriptomics, Proteomics, and Metabolomics Data Analysis Exploring the Injury Mechanism of Ricin on Human Lung Epithelial Cells” “整合转录组学、蛋白质组学和代谢组学数据分析探索蓖麻毒素对人肺上皮细胞的损伤机制”评论
Pub Date : 2022-03-02 DOI: 10.33696/proteomics.3.011
Jingling Wang
Jing-Lin Wang* Director for Department of Bacteriology, Institute of Microbiology and Epidemiology, State Key Laboratory of Pathogens and Biosecurity, AMMS, Beijing 100071, China *Correspondence should be addressed to Jing-Lin Wang, wjlwjl0801@sina.com Received date: January 09, 2022, Accepted date: January 19, 2022 Citation: Wang JL. Commentary on “Integrative Transcriptomics, Proteomics, and Metabolomics Data Analysis Exploring the Injury Mechanism of Ricin on Human Lung Epithelial Cells”. Arch Proteom and Bioinform. 2022;3(1):1-2.
王景林*中国科学院病原与生物安全国家重点实验室微生物与流行病学研究所细菌学研究室主任,北京100071 *通讯地址:王景林,wjlwjl0801@sina.com。收稿日期:2022年1月9日,收稿日期:2022年1月19日。“综合转录组学、蛋白质组学和代谢组学数据分析探索蓖麻毒素对人肺上皮细胞的损伤机制”评论。生物工程学报,2013;31(1):1-2。
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引用次数: 0
In silico analysis for the repurposing of broad-spectrum antiviral drugs against multiple targets from SARS-CoV-2: A molecular docking and ADMET approach 针对SARS-CoV-2多靶点的广谱抗病毒药物再利用的计算机分析:分子对接和ADMET方法
Pub Date : 2022-02-11 DOI: 10.21203/rs.3.rs-1242644/v1
Arpana Parihar, Tabassum Zafar, R. Khandia, Dipesh Singh Parihar, R. Dhote, Y. Mishra
Background: Amidst the second wave of COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) led the world devastated, and resulted in the death of millions of people with its deadly virulence potential. In comparison to similar virus outbreaks, such as severe acute respiratory syndrome coronavirus (SARS CoV) and middle east respiratory syndrome coronavirus (MERS CoV), COVID-19 led to severe morbidity and mortality. Various therapeutic interventions to combat the SARS-CoV-2 infection are actively investigated, but still, there is no specific drug with high anti-viral efficacy against the SARS-CoV-2 virus has been reported yet. The present work is an effort to represent the promising therapeutic efficacy of 52 broad-spectrum anti-viral drugs as a potential lead molecule to suppress SARS-CoV-2 infection. These are the drugs that have shown potential efficacy against several viral infections earlier. The present article discusses the comparative analysis of the therapeutic efficacy of available broad-spectrum anti-viral drugs via assessment of receptor-ligand interaction using the molecular docking approach. Results: Based on the molecular docking indications, we predict the potential importance of various broad-spectrum antiviral drugs that can be repurposed for the treatment of SARS-CoV-2. Molecular docking revealed that Remedesivir, Imatinib, Herbacetin, Zanamivir, Ribavirin, Dasabuvir, Rhoifolin, Sofosbuvir, Cirsimaritin, and 2H-Cyclohepta[b]thiophene-3-carboxamide having strong interactions with respective targets. Conclusion: The present piece of work strongly recommends the anti-viral potential of Zanamivir for RdRp enzyme inhibition, Herbacetin against receptor binding domain of spike protein, and main protease target, Adefovir for ACE2, and Ribavirin for endoribonuclease active site. The current predictions will enhance the clinical development of potential therapeutic drugs to combat the pandemic significantly.
背景:在由严重急性呼吸综合征冠状病毒-2 (SARS-CoV-2)引起的第二波COVID-19大流行中,其致命的毒力使世界遭受重创,并导致数百万人死亡。与严重急性呼吸综合征冠状病毒(SARS CoV)和中东呼吸综合征冠状病毒(MERS CoV)等类似病毒爆发相比,COVID-19导致了严重的发病率和死亡率。各种抗SARS-CoV-2感染的治疗干预措施正在积极研究中,但目前还没有针对SARS-CoV-2病毒具有高抗病毒疗效的特异性药物的报道。本研究旨在展示52种广谱抗病毒药物作为抑制SARS-CoV-2感染的潜在先导分子的治疗效果。这些药物早先已经显示出对几种病毒感染的潜在疗效。本文讨论了利用分子对接方法通过评估受体-配体相互作用对现有广谱抗病毒药物治疗效果的比较分析。结果:基于分子对接适应症,我们预测了各种广谱抗病毒药物的潜在重要性,这些药物可以重新用于治疗SARS-CoV-2。分子对接发现,雷米西韦、伊马替尼、赫巴塞汀、扎那米韦、利巴韦林、达沙布韦、罗依福林、索非布韦、西司马汀和2h -环hepta[b]噻吩-3-羧基酰胺与各自的靶标具有强相互作用。结论:本研究强烈推荐扎那米韦对RdRp酶抑制、Herbacetin对刺突蛋白受体结合域、主要蛋白酶靶点阿德福韦对ACE2、利巴韦林对核糖核酸内切酶活性位点的抗病毒潜力。目前的预测将大大加强潜在治疗药物的临床开发,以对抗大流行。
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引用次数: 7
First In silico Structural Model of Glucokinase-1 from Phytophthora infestans Reveals a Possible Pyrophosphate Binding Site 来自疫霉菌的葡萄糖激酶-1的硅结构模型首次揭示了一个可能的焦磷酸盐结合位点
Pub Date : 2021-12-31 DOI: 10.33696/proteomics.2.009
Liara Villalobos-Piña, A. Rojas, H. Acosta
Liara Villalobos-Piña1,2*, Ascanio Rojas2, Héctor Acosta3 1Laboratorio de Fisiología. Departamento de Biología, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela 2Centro de Cálculo Científico de la Universidad de Los Andes (CeCalCULA), Mérida 5101, Venezuela 3Laboratorio de Enzimología de Parásitos, Departamento de Biología, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
Liara villalobos - pina1,2 *, Ascanio Rojas2, hector Acosta3 1Laboratorio de fisiologia。洛斯安第斯大学理学院生物系,merida 5101,委内瑞拉2洛斯安第斯大学科学计算中心(CeCalCULA), merida 5101,委内瑞拉3寄生虫酶学实验室,洛斯安第斯大学理学院生物系,merida 5101,委内瑞拉
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引用次数: 1
Possible Functions of the Conserved Peptides Encoded by the RNAprecursors of miRNAs in Plants 植物mirna的rnaprecursor编码的保守肽的可能功能
Pub Date : 2021-12-31 DOI: 10.33696/proteomics.2.006
S. Morozov, D. Ryazantsev, T. Erokhina
Sergey Y. Morozov1,2*, Dmitriy Y. Ryazantsev3, Tatiana N. Erokhina3 1Department of Virology, Biological Faculty, Lomonosov Moscow State University, Moscow 119234, Russia 2Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Moscow 119992, Russia 3Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Science, Moscow, Russia *Correspondence should be addressed to Dr. Sergey Morozov; morozov@genebee.msu.ru
Sergey Y. morozo1,2*, Dmitriy Y. ryazantse3, Tatiana N. erokhin3 1莫斯科国立罗蒙诺索夫大学生物学院病毒学系,莫斯科119234 2莫斯科国立罗蒙诺索夫大学别洛泽斯基物理化学生物研究所,莫斯科119992 3莫斯科俄罗斯科学院舍米亚金-奥夫钦尼科夫生物有机化学研究所,莫斯科*通信地址:Sergey Y. Morozov博士;morozov@genebee.msu.ru
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引用次数: 2
LINE-1 Retrotransposon-derived Proteins: The ORFull Truth? LINE-1逆转录转座子衍生蛋白:真相还是真相?
Pub Date : 2021-12-31 DOI: 10.33696/proteomics.2.010
Vuong
Vuong, L.M.1,2, Donovan, P.J.1,2,3* 1Sue and Bill Gross Stem Cell Research Center, University of California, Irvine, Irvine, CA, 92617, USA 2Department of Biological Chemistry, University of California, Irvine, Irvine, CA, 92617, USA 3Department of Developmental and Cell Biology, University of California, Irvine, Irvine, CA, 92617, USA *Correspondence should be addressed to Peter J Donovan; pdonovan@uci.edu
Vuong, L.M.1,2, Donovan, P.J.1,2,3* 1美国加州大学欧文分校苏和比尔·格罗斯干细胞研究中心,欧文,加利福尼亚州欧文,92617,美国2加州大学欧文分校生物化学系,欧文,加利福尼亚州欧文,92617,美国3加州大学欧文分校发育与细胞生物学系,欧文,加利福尼亚州欧文,92617,美国*通信地址:Peter J Donovan;pdonovan@uci.edu
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引用次数: 0
Do Support Vector Machines Play a Role in Stratifying Patient Population Based on Cancer Biomarkers 支持向量机在基于癌症生物标志物的患者群体分层中发挥作用吗
Pub Date : 2021-12-31 DOI: 10.33696/proteomics.2.008
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引用次数: 1
Do Support Vector Machines Play a Role in Stratifying Patient Population Based on Cancer Biomarkers? 支持向量机在基于癌症生物标志物的患者群体分层中发挥作用吗?
Ben Lanza, Deepak Parashar

Biomarkers are known to be the key driver behind targeted cancer therapies by either stratifying the patients into risk categories or identifying patient subgroups most likely to benefit. However, the ability of a biomarker to stratify patients relies heavily on the type of clinical endpoint data being collected. Of particular interest is the scenario when the biomarker involved is a continuous one where the challenge is often to identify cut-offs or thresholds that would stratify the population according to the level of clinical outcome or treatment benefit. On the other hand, there are well-established Machine Learning (ML) methods such as the Support Vector Machines (SVM) that classify data, both linear as well as non-linear, into subgroups in an optimal way. SVMs have proven to be immensely useful in data-centric engineering and recently researchers have also sought its applications in healthcare. Despite their wide applicability, SVMs are not yet in the mainstream of toolkits to be utilised in observational clinical studies or in clinical trials. This research investigates the very role of SVMs in stratifying the patient population based on a continuous biomarker across a variety of datasets. Based on the mathematical framework underlying SVMs, we formulate and fit algorithms in the context of biomarker stratified cancer datasets to evaluate their merits. The analysis reveals their superior performance for certain data-types when compared to other ML methods suggesting that SVMs may have the potential to provide a robust yet simplistic solution to stratify real cancer patients based on continuous biomarkers, and hence accelerate the identification of subgroups for improved clinical outcomes or guide targeted cancer therapies.

已知生物标志物是靶向癌症治疗背后的关键驱动因素,可以将患者分为风险类别或确定最有可能受益的患者亚组。然而,生物标志物对患者进行分层的能力在很大程度上依赖于所收集的临床终点数据的类型。特别令人感兴趣的是,当所涉及的生物标志物是连续的,其中的挑战往往是确定截断或阈值,根据临床结果或治疗益处的水平对人群进行分层。另一方面,有完善的机器学习(ML)方法,如支持向量机(SVM),它以最佳方式将线性和非线性数据分类到子组中。事实证明,svm在以数据为中心的工程中非常有用,最近研究人员也在医疗保健领域寻求其应用。尽管支持向量机具有广泛的适用性,但它尚未成为用于观察性临床研究或临床试验的主流工具包。本研究探讨了支持向量机在基于各种数据集的连续生物标志物对患者群体进行分层中的作用。基于支持向量机的数学框架,我们在生物标志物分层癌症数据集的背景下制定和拟合算法,以评估其优点。分析显示,与其他ML方法相比,支持向量机在某些数据类型上具有优越的性能,这表明支持向量机可能有潜力提供一种强大而简单的解决方案,根据连续的生物标志物对真实的癌症患者进行分层,从而加速识别亚组,以改善临床结果或指导靶向癌症治疗。
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引用次数: 0
A Bioinformatics Protocol for Rational Design of Peptide Vaccines and the COVID-19 Rampage 合理设计多肽疫苗和COVID-19肆虐的生物信息学方案
Pub Date : 2020-12-31 DOI: 10.33696/PROTEOMICS.1.001
A. Nandy, S. Basak, S. Manna
The currently ongoing coronavirus pandemic, the SARSCOV-2, interchangeably referred to as the COVID-19 infection, has in a short span of time altered the ways and means of almost all of mankind. So strong has been its effect that all human activity ceased in one way or another for a considerable time, led to significant loss of life and economic drain of untold proportions such that there are open debates on whether the world will forever now change from the way we were used to [1]. Just like in the case of the several epidemics that have plagued human society in this 21st century, such as severe acute respiratory syndrome coronavirus (SARS-CoV) from 2002 to 2003 [2], the Middle East respiratory syndrome coronavirus (MERS-CoV) of 2012 [3], and H1N1 influenza in 2009 [4], there are no drugs or vaccines available at this time for the SARS-CoV-2, but considering its impact efforts are under way in more than 100 labs worldwide to develop a vaccine with great urgency.
目前正在进行的冠状病毒大流行SARSCOV-2,可互换称为COVID-19感染,在短时间内改变了几乎所有人类的生活方式。它的影响如此强烈,以至于所有的人类活动都以这样或那样的方式停止了相当长的一段时间,导致了无数的生命损失和经济流失,以至于人们公开辩论世界是否会永远改变我们习惯的方式[1]。就像在几个流行的情况困扰人类社会在这个21世纪,如严重急性呼吸系统综合症冠状病毒(冠)从2002年到2003年[2],中东的呼吸系统综合症冠状病毒(MERS-CoV) 2012[3],并在2009年H1N1流感[4],这个时候没有药物或疫苗可用SARS-CoV-2,但是考虑到其影响的努力在全世界有超过100的实验室开发疫苗以极大的紧迫感。
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引用次数: 0
期刊
Archives of proteomics and bioinformatics
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