• Title/Summary/Keyword: molecular interactions

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The Crystal and Molecular Structure of 1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl) Urea: Tolazamide ($C_{14}H_{21}N_3O_3S$)

  • Koo, Chung-Hoe;Suh, Jung-Sun;Yeon, Young-Hee;Watanabe, Tokunosuke
    • Archives of Pharmacal Research
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    • v.11 no.1
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    • pp.74-79
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    • 1988
  • Crystals of tolazamide, $C_{14}H_{21}N_3O_3S$, are triclinic space group $P{\bar{1}}$ with cell dimensions of a = 6.355 (2), b = 9.223 (2), c = 13.510 (3) A, ${\alpha}\;=\;101.04\;(8),\;{\beta}=92.80(5),\;{\gamma}\;=\;85.72\;(6)^{\circ}$ and Z = 2. Intensities were collected on an automated four-circle diffractometer using graphite-monochromated Cu K ${\alpha}$ radiations. The structure was solved by direct method and refined by full-matrix least-squares to an R factor of 0.058 for 1184 observed reflections. The molecules are dimerized by the $N-H{\cdots}O$ hydrogen bonds. There are only van der Waals interactions between these molecular dimers.

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Dimerization of Fibril-forming Segments of α-Synuclein

  • Yoon, Je-Seong;Jang, Soon-Min;Lee, Kyung-Hee;Shin, Seok-Min
    • Bulletin of the Korean Chemical Society
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    • v.30 no.8
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    • pp.1845-1850
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    • 2009
  • We have performed replica-exchange molecular dynamics (REMD) simulations on the dimer formation of fibrilforming segments of $\alpha$-Synuclein (residues 71 - 82) using implicit solvation models with two kinds of force fields- AMBER parm99SB and parm96. We observed spontaneous formation of dimers from the extensive simulations, demonstrating the self-aggregating and fibril forming properties of the peptides. Secondary structure profile and clustering analysis showed that dimers with antiparallel $\beta$-sheet conformations, stabilized by well-defined hydrogen boding, are major species corresponding to global free energy minimum. Parallel dimers with partial $\beta$-sheets are found to be off-pathway intermediates. The relative instability of the parallel arrangements is due to the repulsive interactions between bulky and polar side chains as well as weaker backbone hydrogen bonds.

Structural insights into the transcription-independent apoptotic pathway of p53

  • Chi, Seung-Wook
    • BMB Reports
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    • v.47 no.3
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    • pp.167-172
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    • 2014
  • Reactivating the p53 pathway in tumors is an important strategy for anticancer therapy. In response to diverse cellular stresses, the tumor suppressor p53 mediates apoptosis in a transcription-independent and transcription-dependent manner. Although extensive studies have focused on the transcription-dependent apoptotic pathway of p53, the transcription-independent apoptotic pathway of p53 has only recently been discovered. Molecular interactions between p53 and Bcl-2 family proteins in the mitochondria play an essential role in the transcription-independent apoptosis of p53. This review describes the structural basis for the transcription-independent apoptotic pathway of p53 and discusses its potential application to anticancer therapy.

Development and industrial applications of versatile-usable genes of plant (식물 유용 유전자의 발굴 및 산업적 응용)

  • Oh, Boung-Jun
    • Proceedings of the Plant Resources Society of Korea Conference
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    • 2003.04a
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    • pp.40-60
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    • 2003
  • Fruit ripening represents a genetically synchronized system that involves developmental process unique to plant species, The phenomenon of ripening includes changes in color, texture, respiration rate, flavor, and aroma. Ripe fruits generally exhibit increased susceptibility to pathogen infection. However, fruits as a reproductive organ have their own protection mechanism against pathogens to maintain their integrity during seed maturation. In several nonclimacteric fruits, such as cherry, grape, and pepper, that do not have an ethylene burst during ripening, resistance against phytopathogens increases during ripening. Colletotrichum gloeosporioides is a causal agent of anthracnose disease in pepper plants (Capsicum annuum). We have established that C. gloeosporioides has susceptible and resistant interactions with pepper fruits during pre- and post-ripening stages, respectively. And we have interested in looking for a molecular mechanism that would explain the fungal resistance during ripening of nonclimacteric pepper fruit. In this presentation, a molecular characterization of the pepper esterase gene (PepEST) that is highly expressed in the resistant response will be demonstrated as an example of development and industrial applications of versatile-usable genes of plant.

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Single and Dual Ligand Effects on Gene Expression Changes in Mouse Macrophage Cells

  • Choi Sang-Dun;Seo Jeong-Sun
    • Genomics & Informatics
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    • v.4 no.2
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    • pp.57-64
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    • 2006
  • We identified differentially expressed genes in RAW264.7 cells in response to single and double ligand treatments (LPS, $IFN{\gamma}$, 2MA, LPS plus $IFN{\gamma}$, and LPS plus 2MA). The majority of the regulated transcripts responded additively to dual ligand treatment. However, a significant fraction responded in a non-additive fashion. Several cytokines showing non-additive transcriptional responses to dual ligand treatment also showed non-additive protein production/secretion responses in separately performed experiments. Many of the genes with non-additive responses to LPS plus 2MA showed enhanced responses and encoded pro-inflammatory proteins. LPS plus $IFN{\gamma}$ appeared to induce both non-additive enhancement and non-additive attenuation of gene expression. The affected genes were associated with a variety of biological functions. These experiments reveal both dependent and independent regulatory pathways and point out the specific nature of the regulatory interactions.

Protein Interaction Mapping of Translational Regulators Affecting Expression of the Critical Stem Cell Factor Nos

  • Malik, Sumira;Jang, Wijeong;Kim, Changsoo
    • Development and Reproduction
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    • v.21 no.4
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    • pp.449-456
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    • 2017
  • The germline stem cells of the Drosophila ovary continuously produce eggs throughout the life-span. Intricate regulation of stemness and differentiation is critical to this continuous production. The translational regulator Nos is an intrinsic factor that is required for maintenance of stemness in germline stem cells. Nos expression is reduced in differentiating cells at the post-transcriptional level by diverse translational regulators. However, molecular mechanisms underlying Nos repression are not completely understood. Through three distinct protein-protein interaction experiments, we identified specific molecular interactions between translational regulators involved in Nos repression. Our findings suggest a model in which protein complexes assemble on the 3' untranslated region of Nos mRNA in order to regulate Nos expression at the post-transcriptional level.

Host-Directed Therapeutics as a Novel Approach for Tuberculosis Treatment

  • Kim, Ye-Ram;Yang, Chul-Su
    • Journal of Microbiology and Biotechnology
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    • v.27 no.9
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    • pp.1549-1558
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    • 2017
  • Despite significant efforts to improve the treatment of tuberculosis (TB), it remains a prevalent infectious disease worldwide owing to the limitations of current TB therapeutic regimens. Recent work on novel TB treatment strategies has suggested that directly targeting host factors may be beneficial for TB treatment. Such strategies, termed host-directed therapeutics (HDTs), focus on host-pathogen interactions. HDTs may be more effective than the currently approved TB drugs, which are limited by the long durations of treatment needed and the emergence of drug-resistant strains. Targets of HDTs include host factors such as cytokines, immune checkpoints, immune cell functions, and essential enzyme activities. This review article discusses examples of potentially promising HDTs and introduces novel approaches for their development.

New Aspects of Gene-for-Gene Interactions for Disease Resistance in Plant

  • Nam, Jaesung
    • The Plant Pathology Journal
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    • v.17 no.2
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    • pp.83-87
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    • 2001
  • Disease resistance in plants is often controlled by gene-for-gene mechanism in which avirulence (avr) gene products encoding by pathogens are specifically recognized, either directly or indirectly by plant disease resistance (R) gene products. Recent studies arising from molecular cloning of a number of R genes from various plant species that confer resistance to different pathogens and corresponding avr genes from various pathogens resulted in the accumulation of a wealth of knowledge on mode of action of gene-for-gene interaction. Specially, members of the NBS-LRR class of R genes encoding proteins containing a nucleotide binding site (NBS) and carboxyl-terminal leucine-rich repeats (LRRs) confer resistance to very different types of phytopathogens, such as bacteria, fungi, oomycetes, viruses, nematodes and aphids. This article reviewed the molecular events that occur up-stream of defense response pathway, specially, bacterial avr gene protein recognition mediated by NBS-LRR type R gene product in plant based on current research results of well studied model plants.

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Further Applications of Molecular Orbital Calculations for Solid HF According to Pseudolattic Method

  • Kim, Jin-Seog;No, Kyoung-Tai;Jhon, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • v.5 no.2
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    • pp.61-64
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    • 1984
  • The molecular orbital calculations for solid HF are performed by using the pseudolattice method considering the coulomb lattice sum. In order to obtain the reliable net atomic charges and lattice energy of one dimensional chains, the limited counting of interactions terms up to second neighbours for zig-zag chain and third neighbours for linear chain are sufficient in this calculation. In three dimensional solid HF, the contribution of interaction energy between non-hydrogen bonded neighbours to lattice energy is about 3.5% and the lattice energy of nonpolar structure is stablized by 2.05 kcal/mole compared with that of polar structure. And, this method is further tested and compared with the other methods.