• Title/Summary/Keyword: Biomolecular function and mechanism

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Molecular Dynamics of the M intermediate of photoactive yellow protein in solution

  • Sakurai, Minoru;Shiozawa, Mariko;Arai, Shohei;Inoue, Yoshio;Kamiya, Narutoshi;Higo, Junichi
    • Journal of Photoscience
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    • v.9 no.2
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    • pp.134-137
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    • 2002
  • PYP consists of a water-soluble apoprotein and 4-hydroxycinnamyl chromophore bound to Cys69 via thiolester linkage, Upon absorption of a photon, the photocycle is initiated, leading to formation of several photo-intermediates. Among them, M intermediate is important to understand the signal transduction mechanism of PYP, because it is a putative signaling state. As well known, the dynamics of a protein is closely correlated with the occurrence of its function. Here we report the results of IO ns molecular dynamics (MD) simulation for the M intermediate in aqueous solution and discuss the characteristic feature of this state from a viewpoint of structural fluctuation.

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Construction of Comprehensive Metabolic Network for Glycolysis with Regulation Mechanisms and Effectors

  • JIN, JONG-HWA;JUNG, UI-SUB;JAE, WOOK-NAM;IN, YONG-HO;LEE, SANG-YUP;LEE, DOHE-ON;LEE, JIN-WON
    • Journal of Microbiology and Biotechnology
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    • v.15 no.1
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    • pp.161-174
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    • 2005
  • Abstract Glycolysis has a main function to provide ATP and precursor metabolites for biomass production. Although glycolysis is one of the most important pathways in cellular metabolism, the details of its regulation mechanism and regulating chemicals are not well known yet. The regulation of the glycolytic pathway is very robust to allow for large fluxes at almost constant metabolite levels in spite of changing environmental conditions and many reaction effectors like inhibitors, activating compounds, cofactors, and related metal ions. These changing environmental conditions and metabolic reaction effectors were focused on to understand their roles in the metabolic networks. In this study, we have investigated for construction of the regulatory map of the glycolytic metabolic network and tried to collect all the effectors as much as possible which might affect the glycolysis metabolic pathway. Using the results of this study, it is expected that a complex metabolic situation can be more precisely analyzed and simulated by using available programs and appropriate kinetic data.

Effects of the length of linkers in metal-azobenzene-metal junction on transmission and ON/OFF ratio

  • Yeo, Hyeonwoo;Kim, Han Seul;Kim, Yong-Hoon
    • Proceeding of EDISON Challenge
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    • 2017.03a
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    • pp.499-505
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    • 2017
  • Photoisomerizing molecules which can transform their structure by the light irradiation have great deal for the application of photo-switching devices. And azobenzene is the representive type of the photoisomerizing molecules. It can transform their trans- structures into cis- structure as the light for certain wave lengths they receive. This property shows the potential of ON/OFF switching functionalization which can be used into the nano scale photo switch. Furthermore, many studies are interested in the organic linkers that connect the azobenzene and metal electrodes. We used S, $CH_2S$, $(CH_2)_4S$ as the linker to watch the influence of linkers for electronic properties. So We suggest a photoswitching device based on the vertical junction using the first-principles calculations with density functional theory and non-equilibrium Greens function (NEGF). By analyzing the electronic structure and tunneling current caused by the structural difference of the system between cis- and trans- azobenzene, the difference in switching mechanism, ON/OFF ratio and transmission will be watched as the linker changes. And finally We will suggest which linker would be the better for the optimal device architecture which can achieve high control of the ON/OFF photocurrent ratio. This result will show the potential of azobenzene-based photoswitch and provide the critical insight in constructing the optimal device architecture.

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The Multifaceted Role of Epithelial Membrane Protein 2 in Cancer: from Biomarker to Therapeutic Target

  • Ji Yun Jang;Mi Kyung Park;Chang Hoon Lee;Ho Lee
    • Biomolecules & Therapeutics
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    • v.32 no.6
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    • pp.697-707
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    • 2024
  • Tetraspanin superfamily proteins not only facilitate the trafficking of specific proteins to distinct plasma membrane domains but also influence cell-to-cell and cell-extracellular matrix interactions. Among these proteins, Epithelial Membrane Protein 2 (EMP2), a member of the growth arrest-specific gene 3/peripheral myelin protein 22 (GAS3/PMP22) family, is known to affect key cellular processes. Recent studies have revealed that EMP2 modulates critical signaling pathways and interacts with adhesion molecules and growth factor receptors, underscoring its potential as a biomarker for cancer diagnosis and prognosis. These findings suggest that EMP2 expression patterns could provide valuable insights into tumorigenesis and metastasis. Moreover, EMP2 has emerged as a promising therapeutic target, with approaches aimed at inhibiting or modulating its activity showing potential to disrupt tumor growth and metastasis. This review provides a comprehensive overview of recent advances in understanding the multifaceted roles of EMP2 in cancer, with a focus on its underlying mechanisms and clinical significance.

Adsorption and Release Characteristics of Sulindac on Chitosan-based Molecularly Imprinted Functional Polymer Films (키토산 기반 분자 각인 고분자 필름의 슐린닥 흡착 및 방출 특성)

  • Yoon, Yeon-Hum;Yoon, Soon-Do;Nah, Jae Woon;Shim, Wang Geun
    • Applied Chemistry for Engineering
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    • v.30 no.2
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    • pp.233-240
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    • 2019
  • Molecular recognition technology has attracted considerable attention for improving the selectivity of a specific molecule by imprinting it on a polymer matrix. In this study, adsorption and release characteristics of chitosan based drug delivery films imprinted with sulindac (SLD) were investigated in terms of the plasticizer, temperature and pH and the results were also interpreted by the related mathematical models. The adsorption characteristics of target molecules on SLD-imprinted polymer films were better explained by the Freundlich and Sips equation than that of the Langmuir equation. The binding site energy distribution function was also useful for understanding the adsorption relationship between target molecules and polymer films. The drug release of SLD-imprinted polymer films followed the Fickian diffusion mechanism, whereas the drug release using artificial skin followed the non-Fickian diffusion behavior.