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2016 International Conference on Bioinformatics and Systems Biology (BSB)最新文献

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Extraction of associated quantitative traits by association mining 基于关联挖掘的关联数量性状提取
Pub Date : 2016-08-25 DOI: 10.1109/BSB.2016.7552124
Kalpana Singh, Manish Kumar, Sekhar Verma
Most of the agronomically important traits are quantitative and found to be correlated to each other. These correlated quantitative traits are important to develop high yielding and resistant varieties of various economically important crops to combat the needs of increasing population. This paper work utilized data mining approach to extract patterns/rulesfrom quantitative trait locus database to find associated traits of 10 important crops. In comparison with traditional approaches, this study provides a simple and fast approach for finding associated quantitative traits.
大多数重要的农艺性状都是数量性状,并且彼此之间存在相关性。这些相关的数量性状对于培育高产抗病的经济作物品种以应对人口增长的需要具有重要意义。本文利用数据挖掘方法从数量性状位点数据库中提取模式/规则,发现10种重要作物的相关性状。与传统方法相比,本研究提供了一种简单、快速的方法来寻找相关的数量性状。
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引用次数: 0
Exploring the role of EZH2 (PRC2) as epigenetic target 探讨EZH2 (PRC2)作为表观遗传靶点的作用
Pub Date : 2016-08-25 DOI: 10.1109/BSB.2016.7552131
Imlimaong Aier, Utkarsh Raj
Polycomb group (PcG) proteins have been observed to maintain the pattern of histone by methylation of the histone tail responsible for the gene expression in various cellular processes. The PcG protein consists of two multicomplex, Polycomb Repressive Complexes 1 and 2, which includes Enhancer of zeste homolog 2 (EZH2) acting so that the histones silences tumor suppressor genes. Overexpression of EZH2 results in hyper activation observed in various forms of cancer, for instance, prostate and breast cancer. In the past decade, potent inhibitors for EZH2 have been discovered. However, reports of natural compounds for targeting EZH2 is significantly less. The druglikeness and pharmacokinetic properties of several natural compounds were analyzed and the compound with top inhibitory property was studied by molecular docking. A GLIDE score of -8.223 kcal/mol with stable interaction between the protein and ligand was observed for a simulation of 50 ns. This suggests the use of selected compound as an effective inhibitor for EZH2.
Polycomb group (PcG)蛋白通过在各种细胞过程中负责基因表达的组蛋白尾部甲基化来维持组蛋白的模式。PcG蛋白由两个多复合物组成,多梳抑制复合物1和2,其中包括zeste同源增强子2 (EZH2),其作用是使组蛋白沉默肿瘤抑制基因。EZH2的过表达导致多种癌症的过度激活,例如前列腺癌和乳腺癌。在过去的十年中,已经发现了EZH2的有效抑制剂。然而,针对EZH2的天然化合物的报道却少得多。分析了几种天然化合物的药物相似性和药动学性质,并通过分子对接研究了具有顶级抑制性能的化合物。在50 ns的模拟时间内,该蛋白与配体的相互作用稳定,GLIDE分数为-8.223 kcal/mol。这表明使用选定的化合物作为EZH2的有效抑制剂。
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引用次数: 1
Prediction of catalytic site of proteins based on amino acid triads approach using non parametric function 基于非参数函数的氨基酸三联体方法预测蛋白质的催化位点
Pub Date : 2016-08-25 DOI: 10.1109/BSB.2016.7552137
S. Srivastava, Gautam Kumar, Tapobarata Lahiri, Rajnish Kumar, Manoj Kumar Pal, Pragya Gupta, Rahul Gupta
In this study, we present a method for the catalytic site prediction of proteins rest on the triads of amino acids residues using non parametric function - artificial neural network. Using this method, we can efficiently predict that whether the amino acid triads of a protein are the part of catalytic site or not. For the preparation of training and test datasets, catalytic site residues of protein are downloaded from the database of catalytic site atlas and residues for non catalytic site are taken which are not participating in the formation of catalytic site of protein. This method used the numerical value of six physiochemical properties of amino acids along with the difference between centers of mass of whole protein and amino acids triads as the input for the neural network. Our analysis shows that this method is worked with the efficiency of 83.66% which is higher than other existing model for the prediction of catalytic site of protein. Our analysis is based on the residues physiochemical and topological properties and not on the evolutionary and sequence similarities so, In future, this work may help the researchers to develop tool and predicting the nature of residues of catalytic or active site of protein and may be helpful in ligand designing and molecular docking.
在这项研究中,我们提出了一种利用非参数函数-人工神经网络预测氨基酸残基三联体蛋白催化位点的方法。利用该方法可以有效地预测蛋白质的氨基酸三联体是否为催化位点的一部分。训练和测试数据集的制备,从催化位点图谱数据库中下载蛋白质的催化位点残基,取不参与蛋白质催化位点形成的非催化位点残基。该方法利用氨基酸的六种理化性质的数值以及全蛋白和氨基酸三元组质心的差异作为神经网络的输入。分析表明,该方法的预测效率为83.66%,高于现有的蛋白质催化位点预测模型。我们的分析是基于残基的物理化学和拓扑性质,而不是基于进化和序列相似性,因此,这项工作可能有助于研究人员开发工具和预测蛋白质催化或活性位点残基的性质,并可能有助于配体设计和分子对接。
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引用次数: 1
Identification of conserved regulatory motif signatures in human miRNA upstream regions 人类miRNA上游区域保守调控基序特征的鉴定
Pub Date : 2016-08-25 DOI: 10.1109/BSB.2016.7552128
Pankaj Kumar Singh, Jayita Roy, S. Ganguli, P. Basu, V. Vishal, Abhisek Ranjan Bera, Abhaydeep Pandey, R. Banik
Discovering and characterizing regulatory elements of miRNA genes are fundamental problems in bioinformatics field. An upstream regulatory motif can be described as a sequence element designated for binding of various protein factors imparting their subsequent effects on the transcription of the genes. For example, the transcription factors often bind to cis-acting conserved motif to regulate transcription, which typically are located upstream of transcriptional start sites. This work focuses on the identification of upstream regulatory elements of human microRNA genes by screening of their Kullback Liebler distance.
发现和表征miRNA基因的调控元件是生物信息学领域的基本问题。上游调控基序可以被描述为一个序列元件,用于结合各种蛋白质因子,赋予它们对基因转录的后续影响。例如,转录因子通常结合顺式作用的保守基序来调节转录,这些基序通常位于转录起始位点的上游。本研究的重点是通过筛选人类microRNA基因的Kullback - Liebler距离来鉴定其上游调控元件。
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引用次数: 0
Improving extraction of protein — Protein interaction datasets from KUPS using hashing approach 使用哈希方法改进从up中提取蛋白质-蛋白质相互作用数据集
Pub Date : 2016-08-25 DOI: 10.1109/BSB.2016.7552135
Gautam Kumar, Rajnish Kumar, Manoj Kumar Pal, Pragya Gupta, Rahul Gupta, S. Mehra
The machine learning approaches frequently address the extraction of training datasets from the online databases to build computational or mathematical models. The training data downloaded from the online server and databases are most often carry redundancy and noise. Heuristics methods are most common to filter the data. Dataset filtering process is time consuming and researcher has to do this tedious work. We propose a more generic filter to detect frequent exceptions to increase the quality of generated datasets based on Perl Hash Programming and regular expression methodology. Future development of noise and error reduction approaches is important to make use of the full potential of available database knowledge. We make use of the datasets of protein - protein interaction generated by The University of Kansas Proteomics Service (KUPS).
机器学习方法经常从在线数据库中提取训练数据集,以建立计算或数学模型。从在线服务器和数据库下载的训练数据往往带有冗余和噪声。启发式方法是过滤数据最常用的方法。数据集过滤过程非常耗时,研究人员必须完成这项繁琐的工作。我们提出了一个更通用的过滤器来检测频繁的异常,以提高基于Perl哈希编程和正则表达式方法生成的数据集的质量。减少噪声和错误方法的未来发展对于充分利用现有数据库知识的潜力非常重要。我们利用了堪萨斯大学蛋白质组学服务(up)生成的蛋白质-蛋白质相互作用数据集。
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引用次数: 0
Statistical discrimination of breast cancer microarray data 乳腺癌微阵列数据的统计鉴别
Pub Date : 2016-08-25 DOI: 10.1109/BSB.2016.7552136
Gautam Kumar, Tapobarata Lahiri, Rajnish Kumar
Recently published literatures indicate that, a consistent and precise classification system of microarray data is very essential for the successful identification of genes responsible for a cancer subtype and early treatment of cancer. However, in common clinical practice, diagnostic assertion of malignancies mostly relies on the morphological examination of tissues and clinical tests. In spite of the recent progress of treatment that uses semiempirical approaches involving computation methods, there are still uncertainties in cancer identification and diagnosis. High density oligonucleotide chips and genomic microarray data are being used progressively more in cancer research by generating huge expression data for thousands of genes simultaneously that poses problem of mining specific genes responsible for characterization of a specific cancer subtype. In this backdrop, we briefly address the impact of various statistical methods and their relative performances for the identification of potential probes and Discriminant genes for the breast cancer. We used Fisher's Discriminant Ratio (FDR), two tailed T-Test and vector norm on raw expression data and for each of the probe generated from the difference data accounting for up and down regulation of expression for each probes for various samples. The result indicates the potential of these methods to identify genes responsible for manifestation of breast cancer which is also well supported by the published result of experiments. The success of this approach not only gives the benefit of identification of cancer specific genes but also may help building of efficient classifier on the basis of these genes for automatic diagnostics of cancer.
最近发表的文献表明,一个一致和精确的微阵列数据分类系统对于成功识别癌症亚型的基因和癌症的早期治疗至关重要。然而,在常见的临床实践中,恶性肿瘤的诊断断言大多依赖于组织形态学检查和临床试验。尽管近年来使用涉及计算方法的半经验方法的治疗取得了进展,但在癌症的识别和诊断中仍然存在不确定性。高密度寡核苷酸芯片和基因组微阵列数据正在越来越多地用于癌症研究,同时产生数千个基因的大量表达数据,这给挖掘特定癌症亚型特征的特定基因带来了问题。在此背景下,我们简要地讨论了各种统计方法及其相对性能对乳腺癌潜在探针和判别基因鉴定的影响。我们使用Fisher’s Discriminant Ratio (FDR)、双尾t检验和矢量范数对原始表达数据和从差异数据生成的每个探针进行分析,以解释不同样本中每个探针的表达上下调节。这一结果表明,这些方法有潜力识别出与乳腺癌表现有关的基因,这也得到了已发表的实验结果的很好支持。该方法的成功不仅有利于癌症特异性基因的识别,而且有助于在这些基因的基础上建立有效的分类器,用于癌症的自动诊断。
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引用次数: 3
Molecular modeling and dynamics study of nonsynonymous SNP in bread wheat HSP16.9B gene 面包小麦HSP16.9B基因非同义SNP的分子模拟与动力学研究
Pub Date : 2016-03-04 DOI: 10.1109/BSB.2016.7552123
B. Pandey, Saurabh Gupta, Atmakuri Ramakrishna Rao, D. M. Pandey, R. Chatrath
An ubiquitous molecular chaperon, small heat shock proteins (sHSP) maintain protein homeostasis under stress conditions. Single nucleotide polymorphism was predicted in HSP16.9B gene but so far its impact on protein structure has not been extensively studied. Keeping this point in mind, we applied computational methods and performed molecular dynamics simulation to examine the effect of aspartic acid substitution for asparagine at 11th position (D11N) in HSP16.9B. Furthermore, the secondary structural analysis revealed an addition of beta sheet before the mutation point in the mutant protein. Three dimensional protein structure modeling, validation of structures and molecular dynamics were performed to study the mechanism of the non-synonymous single nucleotide polymorphism on structural changes. The root mean square deviation (RMSD) result showed the stability of the mutated structure throughout simulations. Moreover, root mean square fluctuation (RMSF) of atoms and Hydrogen-bond patterns further supported our results.
小热休克蛋白(sHSP)是一种普遍存在的分子伴侣,在应激条件下维持蛋白质稳态。预测了HSP16.9B基因的单核苷酸多态性,但其对蛋白质结构的影响尚未得到广泛研究。考虑到这一点,我们应用计算方法和分子动力学模拟来研究天冬氨酸取代HSP16.9B中第11位(D11N)天冬酰胺的影响。此外,二级结构分析显示突变蛋白突变点前增加了β片。通过蛋白质三维结构建模、结构验证和分子动力学研究非同义单核苷酸多态性对结构变化的影响机制。在整个仿真过程中,均方根偏差(RMSD)结果显示了突变结构的稳定性。此外,原子和氢键模式的均方根波动(RMSF)进一步支持了我们的结果。
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引用次数: 1
Antimicrobial peptide Microcin C7 as an alternative drug candidate against Diphtheria toxin 抗菌肽Microcin C7作为抗白喉毒素的候选药物
Pub Date : 2016-03-04 DOI: 10.1109/BSB.2016.7552140
S. Ojha, Kanika Kundu, S. Kundu
Due to increase in the incidences of drug resistant pathogens, there is a need for the development of alternative drugs against which the microorganisms will not be able to develop resistance. The most promising candidates to be developed as alternative drugs are the antimicrobial peptides. In the present study the antimicrobial peptide Microcin C7 was docked with the catalytic domain of Diphtheria toxin and further the simulational studies were performed to find the stability of the complex. The results were significant and hence it was predicted that further work can be done on antimicrobial peptide to develop it as an alternative drug against Diphtheria toxin.
由于耐药病原体发生率的增加,有必要开发微生物无法产生耐药性的替代药物。抗菌肽是最有希望开发的替代药物。本研究将抗菌肽Microcin C7与白喉毒素的催化结构域对接,并进行了进一步的模拟研究,以确定该配合物的稳定性。该结果具有重要意义,因此可以进一步开展抗菌肽的研究工作,使其成为抗白喉毒素的替代药物。
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引用次数: 0
Genome-wide analysis and identification of abiotic stress responsive transcription factor family genes and miRNAs in bread wheat (Triticumaestivum L.): Genomic study of bread wheat 面包小麦(Triticumaestivum L.)非生物胁迫应答转录因子家族基因和mirna的全基因组分析与鉴定:面包小麦的基因组研究
Pub Date : 2016-03-04 DOI: 10.1109/BSB.2016.7552159
Sarika Sahu, A. Rao, K. C. Bansal, S. Muthusamy, V. Chinnusamy
Transcription factors (TFs) act as master regulators that directly bind to their respective distinct cis-regulatory elements and activate the expression of many downstream target genes (regulon), and thus play a key regulatory role in plant development and stress tolerance. TF families such as AP2/EREBP, AREB/ABF, bHLH, bZIP, C2H2, C3HIS, HB, DREB1/CBF, HSF, MADS, MYB, MYC, NAC, WRKY, etc., were known to regulate stress responses of plants and were relatively well studied in rice and Arabidopsis. Bread wheat (Triticumaestivum L) draft genome is recently released and is available in Ensembl Plants database. We used known rice TFs and build Hidden Markov Model (HMM) profiles for individual TF protein families. These Profile HMMs in turn were used to search respective wheat homologs. SMART tool was used for domain identification. Our analysis showed that the wheat genome consists of 201, 166, 265, 182, 200, 102, 200, 274, 54, 125, 315, 226 and 199 genes of AP2/EREBP, AREB/ABF, bHLH, bZIP, C2H2, C3HIS, HB, HIS, HSF, MADS, MYB, NAC and WRKY families, respectively. Genome-wide analysis of miRNAs from wheat genome resulted in identification of 4533 miRNAs from wheat. Further, miRNAs targeting abiotic stress responsive TFs is identified. The genome distribution of abiotic stress responsive TFs and miRNAs strongly supports the hypothesis that genome-wide and tandem duplication contributed to the expansion of these gene families in wheat.
转录因子(Transcription factors, TFs)作为主调控因子,直接结合其各自独特的顺式调控元件,激活许多下游靶基因(regulon)的表达,在植物发育和抗逆性中起着关键的调控作用。AP2/EREBP、AREB/ABF、bHLH、bZIP、C2H2、C3HIS、HB、DREB1/CBF、HSF、MADS、MYB、MYC、NAC、WRKY等TF家族调控植物的胁迫反应,在水稻和拟南芥中研究较多。面包小麦(Triticumaestivum L)基因组草图是最近发布的,可在Ensembl植物数据库中找到。我们使用已知的水稻TF,并建立了单个TF蛋白家族的隐马尔可夫模型(HMM)。这些hmm序列依次用于搜索各自的小麦同源物。使用SMART工具进行域识别。结果表明,小麦基因组分别包含AP2/EREBP、AREB/ABF、bHLH、bZIP、C2H2、C3HIS、HB、HIS、HSF、MADS、MYB、NAC和WRKY家族201、166、265、182、200、102、200、274、54、125、315、226和199个基因。对来自小麦基因组的mirna进行全基因组分析,鉴定出4533个来自小麦的mirna。此外,还鉴定了靶向非生物应激反应性tf的mirna。非生物胁迫应答tf和mirna的基因组分布有力地支持了全基因组和串联复制促进小麦这些基因家族扩展的假设。
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引用次数: 2
Identification of co-regulated genes of chick pea under abiotic stress 非生物胁迫下鹰嘴豆共调控基因的鉴定
Pub Date : 2016-03-04 DOI: 10.1109/BSB.2016.7552156
D. Mishra, S. Mittal, I. Singh, Sanjeev Kumar, A. Rai
Co-regulated genes are important for better understanding of how multiple genes are affected in an organism under abiotic stress. In this study, co-regulated genes of chick pea identified. Formulation of clusters of co-expressed genes for each stress has been done by consensus clustering technique and interconnected pathway has been identified using Kyoto Encyclopedia of Genes and Genomes (KEGG) server.
协同调节基因对于更好地理解生物体在非生物胁迫下多重基因是如何受到影响的非常重要。本研究鉴定了鹰嘴豆共调控基因。利用共识聚类技术构建了各应激共表达基因簇,并利用京都基因与基因组百科(KEGG)服务器确定了相互关联的途径。
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引用次数: 0
期刊
2016 International Conference on Bioinformatics and Systems Biology (BSB)
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