• Title/Summary/Keyword: Protein data Modeling

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The Effect of Consumption Value of Alternative Protein Products on Self-Efficacy and Purchase Intention

  • Choo-Yeon KIM;Gyu-Ri KIM;Seong-Soo CHA
    • The Journal of Economics, Marketing and Management
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    • v.12 no.2
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    • pp.27-36
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    • 2024
  • Purpose: As the number of vegetarians continues to rise in tandem with the development of consumer culture, a novel economic trend named 'Vegenomics' has surfaced. In addition, as interest in social and environmental sustainability such as health, environment, and animal welfare grows due to the COVID-19 pandemic, the alternative protein food market is expanding, focusing on plant-based alternative meat. Research design, data, and methodology: Therefore, this study aims to investigate the impact of the consumption value of alternative protein products on self-efficacy and purchase intention. This study collected a total of 187 questionnaires by conducting an online survey from May 1 to July 10, 2023, to verify the research model and hypothesis. The collected data were subjected to exploratory factor analysis, confirmatory factor analysis, and discriminant validity analysis using SPSS 20.0 and AMOS 20.0 programs for structural equation modeling. Results: The results of analyzing consumers' self-efficacy and purchase intention regarding the functional value, health-oriented value, ethical value, and ecological value of alternative protein products are as follows. First, among the consumption values of alternative protein products, ecological value was found to have a significant positive (+) effect on self-efficacy. Second, consumers' self-efficacy for alternative protein products was found to have a significant positive (+) effect on purchase intention. Conclusion: This study is anticipated to provide valuable insights for the formulation of effective marketing strategies for alternative protein products and the development of products that align with consumer needs.

Bioinformatics Interpretation of Exome Sequencing: Blood Cancer

  • Kim, Jiwoong;Lee, Yun-Gyeong;Kim, Namshin
    • Genomics & Informatics
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    • v.11 no.1
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    • pp.24-33
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    • 2013
  • We had analyzed 10 exome sequencing data and single nucleotide polymorphism chips for blood cancer provided by the PGM21 (The National Project for Personalized Genomic Medicine) Award program. We had removed sample G06 because the pair is not correct and G10 because of possible contamination. In-house software somatic copy-number and heterozygosity alteration estimation (SCHALE) was used to detect one loss of heterozygosity region in G05. We had discovered 27 functionally important mutations. Network and pathway analyses gave us clues that NPM1, GATA2, and CEBPA were major driver genes. By comparing with previous somatic mutation profiles, we had concluded that the provided data originated from acute myeloid leukemia. Protein structure modeling showed that somatic mutations in IDH2, RASGEF1B, and MSH4 can affect protein structures.

The active site and substrate binding mode of 1-aminocyclopropane-1- carboxylate oxidase of Fuji apple (Malus domesticus L.) determined by site directed mutagenesis and comparative modeling studies

  • Ahrim Yoo;Seo, Young-Sam;Sung, Soon-Kee;Yang, Dae-Ryook;Kim, Woo-Tae-K;Lee, Weontae
    • Proceedings of the Korean Biophysical Society Conference
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    • 2003.06a
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    • pp.70-70
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    • 2003
  • Active sites and substrate bindings of 1-aminoxyclopropane-1-carboxylate oxidase (MD-ACO1) catalyzing the oxidative conversion of ACC to ethylene have been determined based on site-directed mutagenesis and comparative modeling methods. Molecular modeling based on the crystal structure of Isopenicillin N synthase (IPNS) provided MD-ACO1 structure. MD-ACO1 protein folds into a compact jelly roll shape, consisting of 9 ${\alpha}$-helices, 10 ${\beta}$-strands and several long loops. The MD-ACO1/ACC/Fe(II)/Ascorbate complex conformation was determined from automated docking program, AUTODOCK. The MD-ACO1/Fell complex model was consistent with well known binding motif information (HIS177-ASP179-HIS234). The cosubstrate, ascorbate is placed between iron binding pocket and Arg244 of MD-ACO1 enzyme, supporting the critical role of Arg244 for generating reaction product. These findings are strongly supported by previous biochemical data as well as site-directed mutagenesis data. The structure of enzyme/substrate suggests the structural mechanism for the biochemical role as well as substrate specificity of MD-ACO1 enzyme.

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Application of Physiologically Based Pharmacokinetic (PBPK) Modeling in Prediction of Pediatric Pharmacokinetics (생리학 기반 약물동태(PBPK, Physiologically Based Pharmacokinetic) 모델링을 이용한 소아 약물 동태 예측 연구)

  • Shin, Na-Young;Park, Minho;Shin, Young Geun
    • YAKHAK HOEJI
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    • v.59 no.1
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    • pp.29-39
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    • 2015
  • In recent years, physiologically based pharmacokinetic (PBPK) modeling has been widely used in pharmaceutical industries as well as regulatory health authorities for drug discovery and development. Several application areas of PBPK have been introduced so far including drug-drug interaction prediction, transporter-mediated interaction prediction, and pediatric PK prediction. The purpose of this review is to introduce PBPK and illustrates one of its application areas, particularly pediatric PK prediction by utilizing existing adult PK data and in vitro data. The evaluation of the initial PBPK for adult was done by comparing with experimental PK profiles and the scaling from adult to pediatric was conducted using age-related changes in size such as tissue compartments, and protein binding etc. Sotalol and lorazepam were selected in this review as model drugs for this purpose and were re-evaluated using the PBPK models by GastroPlus$^{(R)}$. The challenges and strategies of PBPK models using adult PK data as well as appropriate in vitro assay data for extrapolating pediatric PK at various ages were also discussed in this paper.

From the Sequence to Cell Modeling: Comprehensive Functional Genomics in Escherichia coli

  • Mori, Hirotada
    • BMB Reports
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    • v.37 no.1
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    • pp.83-92
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    • 2004
  • As a result of the enormous amount of information that has been collected with E. coli over the past half century (e.g. genome sequence, mutant phenotypes, metabolic and regulatory networks, etc.), we now have detailed knowledge about gene regulation, protein activity, several hundred enzyme reactions, metabolic pathways, macromolecular machines, and regulatory interactions for this model organism. However, understanding how all these processes interact to form a living cell will require further characterization, quantification, data integration, and mathematical modeling, systems biology. No organism can rival E. coli with respect to the amount of available basic information and experimental tractability for the technologies needed for this undertaking. A focused, systematic effort to understand the E. coli cell will accelerate the development of new post-genomic technologies, including both experimental and computational tools. It will also lead to new technologies that will be applicable to other organisms, from microbes to plants, animals, and humans. E. coli is not only the best studied free-living model organism, but is also an extensively used microbe for industrial applications, especially for the production of small molecules of interest. It is an excellent representative of Gram-negative commensal bacteria. E. coli may represent a perfect model organism for systems biology that is aimed at elucidating both its free-living and commensal life-styles, which should open the door to whole-cell modeling and simulation.

In Vitro Characterization of Protein Kinase CKII β Mutants Defective in β-β Dimerization

  • Kim, Tae-Hyun;Lee, Jae-Yong;Kang, Beom Sik;Bae, Young-Seuk
    • Molecules and Cells
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    • v.19 no.1
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    • pp.124-130
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    • 2005
  • Protein kinase CKII is composed of two catalytic (${\alpha}$ or ${\alpha}^{\prime}$) subunits and two regulatory (${\beta}$) subunits. The ${\beta}$ subunit mediates tetramer formation through ${\beta}-{\beta}$ homodimerization and ${\alpha}-{\beta}$ heterodimerization. In a previous study R26 and R75, point mutants of $CKII{\beta}$ defective in ${\beta}-{\beta}$ dimerization, were isolated. In the present work we characterized these $CKII{\beta}$ mutants in vitro. Purified R26 and R75 bound to $CKII{\alpha}$ but were defective in binding to $CKII{\beta}$. R75 stimulated the catalytic activity of CKII whereas R26 gave little stimulation, and poly-L-lysine increased the stimulation of catalytic activity by R26 or R75. Circular dichroism and intrinsic fluorescence data pointed to different conformational changes in R26 and R75. Molecular modeling of these mutants provides an explanation of the difference in their ability to interact with $CKII{\beta}$ and to activate $CKII{\alpha}$.

Effects of Spectral Transformations on Leaf C:N Ratio Inversion with Hyperspectral Data

  • Run-he, SHI;Da-fang, ZHUANG;Qiao-jing, QIAN;Zheng, NIU
    • Proceedings of the KSRS Conference
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    • 2003.11a
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    • pp.322-324
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    • 2003
  • Leaf C:N ratio is a new factor in the field of biochemical inversion with hyperspectral data. Effects of common-used spectral transformations including log(R), log(1/R), 1/R, etc. from 400nm to 2490nm on its inversion are compared. Results show that their effects on statistical modeling are not apparent. Continuum removal is used on original reflectance in the range of 2030nm to 2220nm, in which exists an apparent absorption peak due to cellulose, lignin, protein, etc. The effect is distinctive and tends to improve the precision of C:N ratio inversion. Further, it is a robust and physically based transformation.

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From proteomics toward systems biology: integration of different types of proteomics data into network models

  • Rho, Sang-Chul;You, Sung-Yong;Kim, Yong-Soo;Hwang, Dae-Hee
    • BMB Reports
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    • v.41 no.3
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    • pp.184-193
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    • 2008
  • Living organisms are comprised of various systems at different levels, i.e., organs, tissues, and cells. Each system carries out its diverse functions in response to environmental and genetic perturbations, by utilizing biological networks, in which nodal components, such as, DNA, mRNAs, proteins, and metabolites, closely interact with each other. Systems biology investigates such systems by producing comprehensive global data that represent different levels of biological information, i.e., at the DNA, mRNA, protein, or metabolite levels, and by integrating this data into network models that generate coherent hypotheses for given biological situations. This review presents a systems biology framework, called the 'Integrative Proteomics Data Analysis Pipeline' (IPDAP), which generates mechanistic hypotheses from network models reconstructed by integrating diverse types of proteomic data generated by mass spectrometry-based proteomic analyses. The devised framework includes a serial set of computational and network analysis tools. Here, we demonstrate its functionalities by applying these tools to several conceptual examples.

Binding Mode Prediction of 5-Hydroxytryptamine 2C Receptor Ligands by Homology Modeling and Molecular Docking Analysis

  • Ahmed, Asif;Nagarajan, Shanthi;Doddareddy, Munikumar Reddy;Cho, Yong-Seo;Pae, Ae-Nim
    • Bulletin of the Korean Chemical Society
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    • v.32 no.6
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    • pp.2008-2014
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    • 2011
  • Serotonin or 5-hydroxytryptamine subtype 2C ($5-HT_{2C}$) receptor belongs to class A amine subfamily of G-protein-coupled receptor (GPCR) super family and its ligands has therapeutic promise as anti-depressant and -obesity agents. So far, bovine rhodopsin from class A opsin subfamily was the mostly used X-ray crystal template to model this receptor. Here, we explained homology model using beta 2 adrenergic receptor (${\beta}$2AR), the model was energetically minimized and validated by flexible ligand docking with known agonists and antagonists. In the active site Asp134, Ser138 of transmembrane 3 (TM3), Arg195 of extracellular loop 2 (ECL2) and Tyr358 of TM7 were found as important residues to interact with agonists. In addition to these, V208 of ECL2 and N351 of TM7 was found to interact with antagonists. Several conserved residues including Trp324, Phe327 and Phe328 were also found to contribute hydrophobic interaction. The predicted ligand binding mode is in good agreement with published mutagenesis and homology model data. This new template derived homology model can be useful for further virtual screening based lead identification.

Identification and Validation of Novel Biomarkers and Potential Targeted Drugs in Cholangiocarcinoma: Bioinformatics, Virtual Screening, and Biological Evaluation

  • Wang, Jiena;Zhu, Weiwei;Tu, Junxue;Zheng, Yihui
    • Journal of Microbiology and Biotechnology
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    • v.32 no.10
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    • pp.1262-1274
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    • 2022
  • Cholangiocarcinoma (CCA) is a complex and refractor type of cancer with global prevalence. Several barriers remain in CCA diagnosis, treatment, and prognosis. Therefore, exploring more biomarkers and therapeutic drugs for CCA management is necessary. CCA gene expression data was downloaded from the TCGA and GEO databases. KEGG enrichment, GO analysis, and protein-protein interaction network were used for hub gene identification. miRNA were predicted using Targetscan and validated according to several GEO databases. The relative RNA and miRNA expression levels and prognostic information were obtained from the GEPIA. The candidate drug was screened using pharmacophore-based virtual screening and validated by molecular modeling and through several in vitro studies. 301 differentially expressed genes (DEGs) were screened out. Complement and coagulation cascades-related genes (including AHSG, F2, TTR, and KNG1), and cell cycle-related genes (including CDK1, CCNB1, and KIAA0101) were considered as the hub genes in CCA progression. AHSG, F2, TTR, and KNG1 were found to be significantly decreased and the eight predicted miRNA targeting AHSG, F2, and TTR were increased in CCA patients. CDK1, CCNB1, and KIAA0101 were found to be significantly abundant in CCA patients. In addition, Molport-003-703-800, which is a compound that is derived from pharmacophores-based virtual screening, could directly bind to CDK1 and exhibited anti-tumor activity in cholangiocarcinoma cells. AHSG, F2, TTR, and KNG1 could be novel biomarkers for CCA. Molport-003-703-800 targets CDK1 and work as potential cell cycle inhibitors, thereby having potential for consideration for new chemotherapeutics for CCA.