• 제목/요약/키워드: computational biology

검색결과 205건 처리시간 0.031초

Ginsenoside Rg3, a promising agent for NSCLC patients in the pandemic: a large-scale data mining and systemic biological analysis

  • Zhenjie Zhuang;Qianying Chen;Xiaoying Zhong;Huiqi Chen;Runjia Yu;Ying Tang
    • Journal of Ginseng Research
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    • 제47권2호
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    • pp.291-301
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    • 2023
  • Introduction: Non-small cell lung cancer (NSCLC) patients are particularly vulnerable to the Coronavirus Disease-2019 (COVID-19). Currently, no anti-NSCLC/COVID-19 treatment options are available. As ginsenoside Rg3 is beneficial to NSCLC patients and has been identified as an entry inhibitor of the virus, this study aims to explore underlying pharmacological mechanisms of ginsenoside Rg3 for the treatment of NSCLC patients with COVID-19. Methods: Based on a large-scale data mining and systemic biological analysis, this study investigated target genes, biological processes, pharmacological mechanisms, and underlying immune implications of ginsenoside Rg3 for NSCLC patients with COVID-19. Results: An important gene set containing 26 target genes was built. Target genes with significant prognostic value were identified, including baculoviral IAP repeat containing 5 (BIRC5), carbonic anhydrase 9 (CA9), endothelin receptor type B (EDNRB), glucagon receptor (GCGR), interleukin 2 (IL2), peptidyl arginine deiminase 4 (PADI4), and solute carrier organic anion transporter family member 1B1 (SLCO1B1). The expression of target genes was significantly correlated with the infiltration level of macrophages, eosinophils, natural killer cells, and T lymphocytes. Ginsenoside Rg3 may benefit NSCLC patients with COVID-19 by regulating signaling pathways primarily involved in anti-inflammation, immunomodulation, cell cycle, cell fate, carcinogenesis, and hemodynamics. Conclusions: This study provided a comprehensive strategy for drug discovery in NSCLC and COVID-19 based on systemic biology approaches. Ginsenoside Rg3 may be a prospective drug for NSCLC patients with COVID-19. Future studies are needed to determine the value of ginsenoside Rg3 for NSCLC patients with COVID-19.

A bioinformatics approach to characterize a hypothetical protein Q6S8D9_SARS of SARS-CoV

  • Md Foyzur Rahman;Rubait Hasan;Mohammad Shahangir Biswas;Jamiatul Husna Shathi;Md Faruk Hossain;Aoulia Yeasmin;Mohammad Zakerin Abedin;Md Tofazzal Hossain
    • Genomics & Informatics
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    • 제21권1호
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    • pp.3.1-3.10
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    • 2023
  • Characterization as well as prediction of the secondary and tertiary structure of hypothetical proteins from their amino acid sequences uploaded in databases by in silico approach are the critical issues in computational biology. Severe acute respiratory syndrome-associated coronavirus (SARS-CoV), which is responsible for pneumonia alike diseases, possesses a wide range of proteins of which many are still uncharacterized. The current study was conducted to reveal the physicochemical characteristics and structures of an uncharacterized protein Q6S8D9_SARS of SARS-CoV. Following the common flowchart of characterizing a hypothetical protein, several sophisticated computerized tools e.g., ExPASy Protparam, CD Search, SOPMA, PSIPRED, HHpred, etc. were employed to discover the functions and structures of Q6S8D9_SARS. After delineating the secondary and tertiary structures of the protein, some quality evaluating tools e.g., PROCHECK, ProSA-web etc. were performed to assess the structures and later the active site was identified also by CASTp v.3.0. The protein contains more negatively charged residues than positively charged residues and a high aliphatic index value which make the protein more stable. The 2D and 3D structures modeled by several bioinformatics tools ensured that the proteins had domain in it which indicated it was functional protein having the ability to trouble host antiviral inflammatory cytokine and interferon production pathways. Moreover, active site was found in the protein where ligand could bind. The study was aimed to unveil the features and structures of an uncharacterized protein of SARS-CoV which can be a therapeutic target for development of vaccines against the virus. Further research are needed to accomplish the task.

단일 세포 RNA 시퀀싱 데이터에 대한 컴퓨터 분석의 작업과정 (The Workflow for Computational Analysis of Single-cell RNA-sequencing Data)

  • 우성훈;정병출
    • 대한임상검사과학회지
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    • 제56권1호
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    • pp.10-20
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    • 2024
  • RNA-시퀀싱은 표본에 대한 전사체 전체의 패턴을 제공하는 기법이다. 그러나 RNA-시퀀싱은 표본 내 전체 세포에 대한 평균 유전자 발현만 제공할 수 있으며, 표본 내의 이질성(heterogeneity)에 대한 정보는 제공하지 못한다. 단일 세포 RNA-시퀀싱 기술의 발전을 통해 우리는 표본의 단일 세포 수준에서 이질성과 유전자 발현의 동역학(dynamics)에 대한 이해를 할 수 있게 되었다. 예를 들어, 우리는 단일 세포 RNA-시퀀싱을 통해 복잡한 조직을 구성하는 다양한 세포 유형을 식별할 수 있으며, 특정 세포 유형의 유전자 발현 변화와 같은 정보를 알 수 있다. 단일 세포 RNA-시퀀싱은 처음 도입된 이후 많은 이들의 관심을 끌게 되었으며, 이를 활용하기 위한 대규모 생물정보학(bioinformatics) 도구가 개발되었다. 그러나 단일 세포 RNA-시퀀싱에서 생성된 빅데이터 분석에는 데이터 전처리에 대한 이해와 전처리 이후 다양한 분석 기술에 대한 이해가 필요하다. 본 종설에서는 단일 세포 RNA-시퀀싱 데이터분석과 관련된 작업과정의 개요를 제시한다. 먼저 데이터의 품질 관리, 정규화 및 차원 감소와 같은 데이터의 전 처리 과정에 대해 설명한다. 그 이후, 가장 일반적으로 사용되는 생물정보학 도구를 활용한 데이터의 후속 분석에 대해 설명한다. 본 종설은 이 분야에 관심이 있는 새로운 연구자를 위한 가이드라인을 제공하는 것을 목표로 한다.

Incredible RNA: Dual Functions of Coding and Noncoding

  • Nam, Jin-Wu;Choi, Seo-Won;You, Bo-Hyun
    • Molecules and Cells
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    • 제39권5호
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    • pp.367-374
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    • 2016
  • Since the RNA world hypothesis was proposed, a large number of regulatory noncoding RNAs (ncRNAs) have been identified in many species, ranging from microorganisms to mammals. During the characterization of these newly discovered RNAs, RNAs having both coding and noncoding functions were discovered, and these were considered bifunctional RNAs. The recent use of computational and high-throughput experimental approaches has revealed increasing evidence of various sources of bifunctional RNAs, such as protein-coding mRNAs with a noncoding isoform and long ncRNAs bearing a small open reading frame. Therefore, the genomic diversity of Janusfaced RNA molecules that have dual characteristics of coding and noncoding indicates that the functional roles of RNAs have to be revisited in cells on a genome-wide scale. Such studies would allow us to further understand the complex gene-regulatory network in cells. In this review, we discuss three major genomic sources of bifunctional RNAs and present a handful of examples of bifunctional RNA along with their functional roles.

유전자 발현 데이터를 이용한 암의 유형 분류 기법 (Cancer-Subtype Classification Based on Gene Expression Data)

  • 조지훈;이동권;이민영;이인범
    • 제어로봇시스템학회논문지
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    • 제10권12호
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    • pp.1172-1180
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    • 2004
  • Recently, the gene expression data, product of high-throughput technology, appeared in earnest and the studies related with it (so-called bioinformatics) occupied an important position in the field of biological and medical research. The microarray is a revolutionary technology which enables us to monitor several thousands of genes simultaneously and thus to gain an insight into the phenomena in the human body (e.g. the mechanism of cancer progression) at the molecular level. To obtain useful information from such gene expression measurements, it is essential to analyze the data with appropriate techniques. However the high-dimensionality of the data can bring about some problems such as curse of dimensionality and singularity problem of matrix computation, and hence makes it difficult to apply conventional data analysis methods. Therefore, the development of method which can effectively treat the data becomes a challenging issue in the field of computational biology. This research focuses on the gene selection and classification for cancer subtype discrimination based on gene expression (microarray) data.

An Efficient Approach to Mining Maximal Contiguous Frequent Patterns from Large DNA Sequence Databases

  • Karim, Md. Rezaul;Rashid, Md. Mamunur;Jeong, Byeong-Soo;Choi, Ho-Jin
    • Genomics & Informatics
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    • 제10권1호
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    • pp.51-57
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    • 2012
  • Mining interesting patterns from DNA sequences is one of the most challenging tasks in bioinformatics and computational biology. Maximal contiguous frequent patterns are preferable for expressing the function and structure of DNA sequences and hence can capture the common data characteristics among related sequences. Biologists are interested in finding frequent orderly arrangements of motifs that are responsible for similar expression of a group of genes. In order to reduce mining time and complexity, however, most existing sequence mining algorithms either focus on finding short DNA sequences or require explicit specification of sequence lengths in advance. The challenge is to find longer sequences without specifying sequence lengths in advance. In this paper, we propose an efficient approach to mining maximal contiguous frequent patterns from large DNA sequence datasets. The experimental results show that our proposed approach is memory-efficient and mines maximal contiguous frequent patterns within a reasonable time.

Multiple hTAFII31-binding motifs in the intrinsically unfolded transcriptional activation domain of VP16

  • Kim, Do-Hyoung;Lee, Si-Hyung;Nam, Ki-Hoon;Chi, Seung-Wook;Chang, Ik-Soo;Han, Kyou-Hoon
    • BMB Reports
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    • 제42권7호
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    • pp.411-417
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    • 2009
  • Transcriptional activation domain (TAD) in virion protein 16 (VP16) of herpes simplex virus does not have any globular structure, yet exhibits a potent transcriptional activity. In order to probe the structural basis for the transcriptional activity of VP16 TAD, we have used NMR spectroscopy to investigate its detailed structural features. Results show that an unbound VP16 TAD is not merely "unstructured" but contains four short motifs (residues 424-433, 442-446, 465-467 and 472-479) with transient structural order. Pre-structured motifs in other intrinsically unfolded proteins (IUPs) were shown to be critically involved in target protein binding. The 472-479 motif was previously shown to bind to $hTAF_{II}31$, whereas the $hTAF_{II}31$-binding ability of other motifs found in this study has not been addressed. The VP16 TAD represents another IUP whose pre-structured motifs mediate promiscuous binding to various target proteins.

Visualization for Digesting a High Volume of the Biomedical Literature

  • Lee, Chang-Su;Park, Jin-Ah;Park, Jong-C.
    • Bioinformatics and Biosystems
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    • 제1권1호
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    • pp.51-60
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    • 2006
  • The paradigm in biology is currently changing from that of conducting hypothesis-driven individual experiments to that of utilizing the results of a massive data analysis with appropriate computational tools. We present LayMap, an implemented visualization system that helps the user to deal with a high volume of the biomedical literature such as MEDLINE, through the layered maps that are constructed on the results of an information extraction system. LayMap also utilizes filtering and granularity for an enhanced view of the results. Since a biomedical information extraction system gives rise to a focused and effective way of slicing up the data space, the combined use of LayMap with such an information extraction system can help the user to navigate the data space in a speedy and guided manner. As a case study, we have applied the system to datasets of journal abstracts on 'MAPK pathway' and 'bufalin' from MEDLINE. With the proposed visualization, we have successfully rediscovered pathway maps of a reasonable quality for ERK, p38 and JNK. Furthermore, with respect to bufalin, we were able to identify the potentially interesting relation between the Chinese medicine Chan su and apoptosis with a high level of detail.

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Review of Current Approaches for Implementing Metabolic Reconstruction

  • Kim, Do-Gyun;Seo, Sung-Won;Cho, Byoung-Kwan;Lohumi, Santosh;Hong, Soon-jung;Lee, Wang-Hee
    • Journal of Biosystems Engineering
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    • 제43권1호
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    • pp.45-58
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    • 2018
  • Background: Metabolic modeling has been an essential tool in metabolic reconstruction, which has dramatically advanced in the last decades as a part of systems biology. At present, the protocol for metabolic reconstruction has been systematically established, and it provides the basis for the analysis of complex systems, which has been limited in the past. Therefore, metabolic reconstruction can be adapted to analyze agricultural systems whose metabolic data has been accumulated recently. Purpose: The aim of this review is to suggest the suitability of metabolic modeling for understanding agricultural metabolic data and to encourage the potential use of this modeling in the field of agriculture. Review: We reviewed the procedure of metabolic reconstruction using computational modeling with applicable strategies and software tools. Additionally, we presented the initial attempts of metabolic reconstruction in the field of agriculture and proposed further applications.

Analytical Tools and Databases for Metagenomics in the Next-Generation Sequencing Era

  • Kim, Mincheol;Lee, Ki-Hyun;Yoon, Seok-Whan;Kim, Bong-Soo;Chun, Jongsik;Yi, Hana
    • Genomics & Informatics
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    • 제11권3호
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    • pp.102-113
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    • 2013
  • Metagenomics has become one of the indispensable tools in microbial ecology for the last few decades, and a new revolution in metagenomic studies is now about to begin, with the help of recent advances of sequencing techniques. The massive data production and substantial cost reduction in next-generation sequencing have led to the rapid growth of metagenomic research both quantitatively and qualitatively. It is evident that metagenomics will be a standard tool for studying the diversity and function of microbes in the near future, as fingerprinting methods did previously. As the speed of data accumulation is accelerating, bioinformatic tools and associated databases for handling those datasets have become more urgent and necessary. To facilitate the bioinformatics analysis of metagenomic data, we review some recent tools and databases that are used widely in this field and give insights into the current challenges and future of metagenomics from a bioinformatics perspective.