• Title/Summary/Keyword: molecular profile

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Deep Learning Approach Based on Transcriptome Profile for Data Driven Drug Discovery

  • Eun-Ji Kwon;Hyuk-Jin Cha
    • Molecules and Cells
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    • v.46 no.1
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    • pp.65-67
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    • 2023
  • SMILES (simplified molecular-input line-entry system) information of small molecules parsed by one-hot array is passed to a convolutional neural network called black box. Outputs data representing a gene signature is then matched to the genetic signature of a disease to predict the appropriate small molecule. Efficacy of the predicted small molecules is examined by in vivo animal models. GSEA, gene set enrichment analysis.

MASS DISTRIBUTION IN THE CENTRAL FEW PARSECS OF OUR GALAXY

  • Oh, Seung-Kyung;S. Kim, Sung-Soo;Figer, Donald F.
    • Journal of The Korean Astronomical Society
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    • v.42 no.2
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    • pp.17-26
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    • 2009
  • We estimate the enclosed mass profile in the central 10 pc of the Milky Way by analyzing the infrared photometry and the velocity observations of dynamically relaxed stellar population in the Galactic center. HST/NICMOS and Gemini Adaptive Optics images in the archive are used to obtain the number density profile, and proper motion and radial velocity data were compiled from the literature to find the velocity dispersion profile assuming a spherical symmetry and velocity isotropy. From these data, we calculate the the enclosed mass and density profiles in the central 10 pc of the Galaxy using the Jeans equation. Our improved estimates can better describe the exact evolution of the molecular clouds and star clusters falling down to the Galactic center, and constrain the star formation history of the inner part of the Galaxy.

Effects of Halothane on Dimyristoylphosphatidylcholine Lipid Bilayer Structure: A Molecular Dynamics Simulation Study

  • Oh, Kwang-Jin;Klein, Michael L.
    • Bulletin of the Korean Chemical Society
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    • v.30 no.9
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    • pp.2087-2092
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    • 2009
  • We performed molecular dynamics simulations on dimyristoylphosphatidylcholine lipid bilayer with 50 mol% halothane. The structural properties, electron density profile, segmental order parameter of acyl chains, headgroup orientation distribution, water dipole orientation distribution, have been examined. Overall the effects of the halothane molecules on structural properties of DMPC lipid bilayer were found to be small. The electron density profiles, the segmental order parameter, the headgroup orientation, the water dipole orientation were not affected significantly by the halothane molecules. Pressure tensor calculations shows that the lateral pressure increases at the hydrocarbon tail region and the headgroup region, and decreases at the water-headgroup interfacial region.

Photoinduced Electron Transfer in Molecular Photodiode Consisted of Flavin-Viologen Hetero-LB Films (Flavin-Viologen 복합 LB막으로 구성된 분자광다이오드에서의 광유도 전자전달)

  • 김민진;최정우;정성욱;오세용;이원흥;신동명
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1995.11a
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    • pp.281-284
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    • 1995
  • A molecular photodiode was fabricated with hetero-Langmuir-Blodgett (LB) film consisting of an electron accepter(A) and sensitizer. N-Allyl-N-[3-propylamido-N\",N\"-야(n-octadecyl)]-4,4-bipyridum Dibromide and 7,8-dimethyl-10-dodecyl isoalloxan-zine were used as A and S units, respectively. By aligning hefter-LB film of A/S units on ITO glass with an aluminium thin film, a molecular photodiode with the structure of Metal/Insulator/Metal(MIM) was constructed. Due to excitation by irradiation with a 460nm monochromatic light source, the photo-induced unidirectional flow of electrons in the MIM device could be achieved and was detected as photocurrents. The direction of energy flow was in accordance with the energy level profile across the LB films. The photo switching function was achieved and the rectifying characteristics was obserbed in the molecular devise.

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Thermosensitive Chitosan as an Injectable Carrier for Local Drug Delivery

  • Bae Jin-Woo;Go Dong-Hyun;Park Ki-Dong;Lee Seung-Jin
    • Macromolecular Research
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    • v.14 no.4
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    • pp.461-465
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    • 2006
  • Two types of injectable system using thermosensitive chitosan (chitosan-g-NIPAAm), hydrogel and microparticles (MPs)-embedded hydrogel were developed as drug carriers for controlled release and their pharmaceutical potentials were investigated. 5-Fluorouracil (5-FU)-loaded, biodegradable PLGA MPs were prepared by a double emulsion method and then simply mixed with an aqueous solution of thermosensitive chitosan at room temperature. All 5-FU release rates from the hydrogel matrix were faster than bovine serum albumin (BSA), possibly due to the difference in the molecular weight of the drugs. The 5-FU release profile from MPs-embedded hydrogel was shown to reduce the burst effect and exhibit nearly zero-order release behavior from the beginning of each initial stage. Thus, these MPs-embedded hydrogels, as well as thermosensitive chitosan hydrogel, have promising potential as an injectable drug carrier for pharmaceutical applications.

Profiling of Gene Expression According to Cancer Stage in Clear Cell Type of Renal Cell Carcinoma

  • Won, Nam-Hee;Ryu, Yeon-Mi;Kim, Ki-Nam;Kim, Meyoung-Kon
    • Molecular & Cellular Toxicology
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    • v.1 no.1
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    • pp.62-71
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    • 2005
  • For toxicity model in the kidney, renal cell carcinoma (RCC) is one of the most important model to assess the structural and functional alterations. Most RCCs are sporadic, and environmental agents are suspected to play a role in the etiology of the disease. In this study, we discovered novel evidence for previously unknown gene expression patterns related to progression according to cancer stage in RCC. Four clear cell RCC tissue samples along with five corresponding patient-matched normal kidney tissue samples were obtained from patients undergoing partial or radical nephrectomy. To examine the difference of gene expression profile in clear cell RCC, radioactive cDNA microarrays were used to evaluate changes in the expression of 1,152 genes in a total. Using $^{33}P-labeled$ probes, this method provided highly sensitive gene expression profiles including drug metabolism, and cellular signaling. 29 genes were identified with expression levels that differed by more than 2.0 value of z-ratio, compared with that in control. Whereas expression of 38 genes were decreased by less than-2.0 value of z-ratio. In conclusion, this study has identified 67 gene expression alterations in clear-cell type of RCC. Most notably, genes involved in cell growth were up-regulated in stage I more than stage III whereas genes involved in signal transduction were down-regulated in which both stage I and stage III. The identified alteraions of gene expression will likely give in sight in to clear cell RCC and tumor progression.

[ N2H+ ] OBSERVATIONS OF MOLECULAR CLOUD CORES IN TAURUS

  • TATEMATSU KEN'ICHI
    • Journal of The Korean Astronomical Society
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    • v.38 no.2
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    • pp.279-282
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    • 2005
  • We report the millimeter-wave radio observations of molecular cloud cores in Taurus. The observed line is the $N_2H^+$ emission at 93 GHz, which is known to be less affected by molecular depletion. We have compared starless (IRAS-less) cores with star-forming cores. We found that there is no large difference between starless and star-forming cores, in core radius, linewidth, core mass, and radial intensity profile. Our result is in contrast with the result obtained by using a popular molecular line, in which starless cores are larger and less condensed. We suggest that different results mainly come from whether the employed molecular line is affected by depletion or not. We made a virial analysis, and found that both starless and star-forming cores are not far from the critical equilibrium state, in Taurus. Together with the fact that Taurus cores are almost thermally supported, we conclude that starless Taurus cores evolve to star formation without dissipating turbulence. The critical equilibrium state in the virial analysis corresponds to the critical Bonnor-Ebert sphere in the Bonnor-Ebert analysis (Nakano 1998). It is suggested that the initial condition of the molecular cloud cores/globules for star formation is close to the critical equilibrium state/critical Bonnor-Ebert sphere, in the low-mass star forming region.

'Drawing' a Molecular Portrait of CIN and Cervical Cancer: a Review of Genome-Wide Molecular Profiling Data

  • Kurmyshkina, Olga V;Kovchur, Pavel I;Volkova, Tatyana O
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.11
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    • pp.4477-4487
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    • 2015
  • In this review we summarize the results of studies employing high-throughput methods of profiling of HPV-associated cervical intraepithelial neoplasia (CIN) and squamous cell cervical cancers at key intracellular regulatory levels to demonstrate the unique identity of the landscape of molecular changes underlying this oncopathology, and to show how these changes are related to the 'natural history' of cervical cancer progression and the formation of clinically significant properties of tumors. A step-wise character of cervical cancer progression is a morphologically well-described fact and, as evidenced by genome-wide screenings, it is indeed the consistent change of the molecular profiles of HPV-infected epithelial cells through which they progressively acquire the phenotypic hallmarks of cancerous cells. In this sense, CIN/cervical cancer is a unique model for studying the driving forces and mechanisms of carcinogenesis. Recent research has allowed definition of the whole-genome spectrum of both random and regular molecular alterations, as well as changes either common to processes of carcinogenesis or specific for cervical cancer. Despite the existence of questions that are still to be investigated, these findings are of great value for the future development of approaches for the diagnostics and treatment of cervical neoplasms.

Expression of miR-210 during erythroid differentiation and induction of γ-globin gene expression

  • Bianchi, Nicoletta;Zuccato, Cristina;Lampronti, Ilaria;Borgatti, Monica;Gambari, Roberto
    • BMB Reports
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    • v.42 no.8
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    • pp.493-499
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    • 2009
  • MicroRNAs (miRs) are a family of small noncoding RNAs that regulate gene expression by targeting mRNAs in a sequence specific manner, inducing translational repression or mRNA degradation. In this paper we have first analyzed by microarray the miR-profile in erythroid precursor cells from one normal and two thalassemic patients expressing different levels of fetal hemoglobin (one of them displaying HPFH phenotype). The microarray data were confirmed by RT-PCR analysis, and allowed us to identify miR-210 as an highly expressed miR in the erythroid precursor cells from the HPFH patient. When RT-PCR was performed on mithramycin-induced K562 cells and erythroid precursor cells, miR-210 was found to be induced in time-dependent and dose-dependent fashion, together with increased expression of the fetal $\gamma$-globin genes. Altogether, the data suggest that miR-210 might be involved in increased expression of $\gamma$-globin genes in differentiating erythroid cells.

Antimicrobial Compounds Profile During Cheonggukjang Fermentation Against Xanthomonas oryzae pv. oryzae (Xoo)

  • Son, Gun-Hee;Kim, Ji-Young;Muthaiya, Maria John;Lee, Sa-Rah;Kim, Hyang-Yeon;Lee, Choong-Hwan
    • Journal of Microbiology and Biotechnology
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    • v.21 no.11
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    • pp.1147-1150
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    • 2011
  • Xanthomonas oryzae causes rice bacterial blight, which has been reported as one of the most destructive diseases of rice. Metabolites were identified through cheonggukjang, a traditional Korean fermented soybean product fermented by the Bacillus spp., to control the bacteria. HPLC, MS, and UPLC-Q-TOF-MS analyses were performed to identify metabolites responsible for antimicrobial activity. In this analysis, the m/z values of 253.0498, 283.0600, 269.0455, 992.6287, and 1,006.6436 were identified as daidzein, glycitein, genistein, surfactin B, and surfactin A, respectively. The levels of surfactin B and surfactin A were found to be high at 24 h (4.35 ${\mu}g$/ml) and 36 h (3.43 ${\mu}g$/ml) of fermentation, respectively.