• Title/Summary/Keyword: Molecular Analysis

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Molecular modeling of COX-2 inhibitors: 3D-QSAR and docking studies

  • Kim, Hye-Jung;Chae, Chong-Hak;Yoo, Sung-Eun;Yi, Kyu-Yang;Park, Kyung-Lae
    • Proceedings of the PSK Conference
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    • 2003.10b
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    • pp.65.2-65.2
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    • 2003
  • 88 selective COX-2 inhibitors belonging to three chemical classes (triaryl rings, diaryl cycloalkanopyrazoles, and diphenyl hydrazides) were studied using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). Partial least squares analysis produced statistically significant models with q values of 0.84 and 0.79 for CoMFA and CoMSIA, respectively. The key spatial properties were detected by careful analysis of the isocontour maps. The binding energies calculated from flexible docking correlated with inhibitory activities by the least-squares fit method. (omitted)

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LC Alignment Behaviors at Rubbed Films of Brush Polyimides;Perpendicular LC Alignment versus Parallel LC Alignment

  • Lee, Taek-Joon;Hahm, Seok-Gyu;Lee, Seung-Woo;Chae, Bok-Nam;Lee, Seong-June;Kim, Seung-Bin;Jung, Jin-Chul;Ree, Moon-Hor
    • 한국정보디스플레이학회:학술대회논문집
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    • 2004.08a
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    • pp.766-768
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    • 2004
  • Rubbed films of a series of poly(p-phenylene 3,6-bis(4-(n-alkyloxy)phenyloxy)pyromellitimide)s (Cn-PMDA-PDA PIs), which are well-defined brush PIs composed of two aromatic-aliphatic bristles per repeat unit of a fully rodlike backbone, were investigated in detail using atomic force microscopy (AFM), optical retardation analysis and linearly polarized infrared (IR) spectroscopy in order to elucidate their surface morphology and molecular orientation. The liquid crystal (LC) alignment behavior and the anchoring energy of LC molecules on the rubbed films were also determined.

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The Detection of Molecular Ion $CsX^+$(X=Al, Ga, As) for Quantitative SIMS Analysis ($CsX^+$(X=Al, Ga, As) 분자이온을 이용한 SIMS의 정량분석)

  • 김차연;김선미;김성태;지종열
    • Journal of the Korean Vacuum Society
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    • v.1 no.1
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    • pp.121-125
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    • 1992
  • Secondary Ion Mass Spectrometry (SIMS) is widely known as highly sensitive a surface analysis technique. Efforts for quantification have been hindered, however, by the presence of matrix effects. Here we describe a new technique for the quantitative analysis of AlxGa1-xAs. Instead of Al+, Ga+, As+ ions, CsX+ ions (X=Al, Ga, As) have been detected. Intensity of these molecular ions appears to be much less affected by matrix effects. We have successfully accomplished the compositional analysis with standard deviation better than 2 percent.

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3D-QSAR (CoMFA, CoMSIA) study of PPAR-$\gamma$ agonists.

  • Lee, Hye-Sun;Chae, Chong-Hak;Yoo, Sung-Eun;Yi, Kyu-Yang;Park, Kyung-Lae
    • Proceedings of the PSK Conference
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    • 2003.10b
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    • pp.181.3-181.3
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    • 2003
  • Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were performed on 60 PPAR-g agonists. Partial Least Squars (PLS) analysis produced good predicted models with $q^2$ value of 0.62 (SDEP=0.33, F value=93.22, $r^2$=0.92) and 0.56 (SDEP=0.47 F value=27.65, $r^2$=0.86), respectivly. The key spatial properties were detected by careful analysis of the isocontour maps.

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O-Methyltransferases from Arabidopsis thaliana

  • Kim, Bong-Gyu;Kim, Dae-Hwan;Hur, Hor-Gil;Lim, Jun;Lim, Yoong-Ho;Ahn, Joong-Hoon
    • Journal of Applied Biological Chemistry
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    • v.48 no.3
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    • pp.113-119
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    • 2005
  • O-methylation mediated by O-methyltransferases (OMTs) is a common modification in natural product biosynthesis and contributes to diversity of secondary metabolites. OMTs use phenylpropanoids, flavonoids, other phenolics and alkaloids as substrates, and share common domains for S-adenosyl-L-methionine (AdoMet) and substrate binding. We searched Arabiposis genome and found 17 OMTs genes (AtOMTs). AdoMet- and substrate-binding sites were predicted. AdoMet binding domain of AtOMTs is highly conserved, while substrate-binding domain is diverse, indicating use of different substrates. In addition, expressions of six AtOMT genes in response to UV and in different tissues were investigated using real-time quantitative reverse transcriptase-polymerase chain reaction. All the AtOMTs investigated were expressed under normal growth condition and most, except AtOMT10, were induced after UV illumination. AtOMT1 and AtOMT8 were expressed in all the tissues, whereas AtOMT10 showed flower-specific expression. Analysis of these AtOMT gene expressions could provide some clues on AtOMT involvement in the cellular processes.

The 10 kDa protein of Taenia solium metacestodes shows genus specific antigenicity

  • Park, Seung-Kyu;Yun, Doo-Hee;Chung, Joon-Yong;Kong, Yoon;Cho, Seung-Yull
    • Parasites, Hosts and Diseases
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    • v.38 no.3
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    • pp.191-194
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    • 2000
  • Genus specific antigenicity of the 10 kDa protein in cyst fluid (CF) of Taenia solium metacestodes was demonstrated by comparative immunoblot analysis. When CFs from taeniid metacestodes of T. saginata, T. solium, T. taeniaeformis and T. crassiceps were probed with specific monoclonal antibody (mAb) raised against 150 kDa protein of T. solium metacestodes, specific antibody reactions were observed in 7 and 10 kDa proteins of T. solium and in 7/8 kDa of T. saginata, T. taeniaeformis and T. crasiceps. The mAb did not react with any protein in hydatid fluid of Echinococcus granulosus and E. multilocularis. This result revealed that the 10 kDa peptide of T. solium metacestodes and its equivalent proteins of different Taenia metacestodes are genus specific antigens that are shared among different Taenia species.

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A Role for Arabidopsis miR399f in Salt, Drought, and ABA Signaling

  • Baek, Dongwon;Chun, Hyun Jin;Kang, Songhwa;Shin, Gilok;Park, Su Jung;Hong, Hyewon;Kim, Chanmin;Kim, Doh Hoon;Lee, Sang Yeol;Kim, Min Chul;Yun, Dae-Jin
    • Molecules and Cells
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    • v.39 no.2
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    • pp.111-118
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    • 2016
  • MiR399f plays a crucial role in maintaining phosphate homeostasis in Arabidopsis thaliana. Under phosphate starvation conditions, AtMYB2, which plays a role in plant salt and drought stress responses, directly regulates the expression of miR399f. In this study, we found that miR399f also participates in plant responses to abscisic acid (ABA), and to abiotic stresses including salt and drought. Salt and ABA treatment induced the expression of miR399f, as confirmed by histochemical analysis of promoter-GUS fusions. Transgenic Arabidopsis plants overexpressing miR399f (miR399f-OE) exhibited enhanced tolerance to salt stress and exogenous ABA, but hypersensitivity to drought. Our in silico analysis identified ABF3 and CSP41b as putative target genes of miR399f, and expression analysis revealed that mRNA levels of ABF3 and CSP41b decreased remarkably in miR399f-OE plants under salt stress and in response to treatment with ABA. Moreover, we showed that activation of stress-responsive gene expression in response to salt stress and ABA treatment was impaired in miR399f-OE plants. Thus, these results suggested that in addition to phosphate starvation signaling, miR399f might also modulates plant responses to salt, ABA, and drought, by regulating the expression of newly discovered target genes such as ABF3 and CSP41b.

Molecular diagnosis of fragile X syndrome in a female child (여아 환자에서의 취약 X 증후군의 분자유전학적 진단)

  • Jeong, Seon-Yong;Yang, Jeong-A;Kim, Hyon-J.
    • Journal of Genetic Medicine
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    • v.5 no.1
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    • pp.41-46
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    • 2008
  • Purpose : Fragile X syndrome (FXS) is the most common heritable cause of cognitive impairment. FXS is caused by hyperexpansion and hypermethylation of a polymorphic CGG trinucleotide repeat in the 5' untranslated region of the fragile X mental retadation-1(FMR1) gene. Combination of Southern blotting and simple polymerase chain reaction(PCR) amplification of the FMR1 repeat region is commonly used for diagnosis in females. To give a definite diagnosis in a female child suspected of having FXS, we carried out the molecular diagnostic test for FXS using the recently developed Abbott Molecular Fragile X PCR Kit. Methods : The PCR amplification of the FMR1 repeat region was performed using the Abbott Mdecular Fragile X PCR Kit. The amplified products were analyzed by size-separate analysis on 1.5% agarose gels and by DNA fragment analysis using Gene scan. Results : Agarose gel and Gene scan analyses of PCR products of the FMR1 repeat region showed that the patient had two heterozygous alleles with a normal 30 repeats and full mutation of >200 repeats whereas her mother had two heterozygous alleles with the normal 30 repeats and premutation of 108 repeats, suggesting that the premutation of 108 repeats in her mother may have led to the full mutation of >200 repeats in the patient. Conclusion : We diagnosed FXS in a female patient using a simplified molecular diagnostic test. This commercially available diagnostic test for FXS, based on PCR, may be a suitable alternative or complement method to Southern blot analysis and PCR analysis and/or methylation specific(MS)-PCR analysis for the molecular diagnosis of FXS in both males and females.

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Prenatal Diagnosis of Mucolipidosis Type II: Comparison of Biochemical and Molecular Analyses

  • Kosuga, Motomichi;Okada, Michiyo;Migita, Osuke;Tanaka, Toju;Sago, Haruhiko;Okuyama, Torayuki
    • Journal of mucopolysaccharidosis and rare diseases
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    • v.2 no.1
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    • pp.19-22
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    • 2016
  • Purpose: Mucolipidosis type II (ML II), also known as I-cell disease is an autosomal recessive inherited disorder of lysosomal enzyme transport caused by a deficiency of the uridine diphosphate (UDP)-N-acetylglucosamine:lysosomal enzyme N-acetylglucosamine-1-phosphotransferase (GlcNAc-phosphotransferase). Clinical manifestations are skeletal abnormalities, mental retardation, cardiac disease, and respiratory complications. A severely and rapidity progressive clinical course leads to death before 10 years of age. Methods/Results: In this study we diagnosed three cases of prenatal ML II in two different at-risk families. We compared two procedures -biochemical analysis and molecular analysis - for the prenatal diagnosis of ML II. Both methods require an invasive procedure to obtain specimens for the diagnosis. Biochemical analysis requires obtaining cell cultures from amniotic fluid for more than two weeks, and would result in a late diagnosis at 19 to 22 weeks of gestation. Molecular genetic testing by direct sequence analysis is usually possible when mutations are confirmed in the proband. Molecular analysis has an advantage in that it can be performed during the first-trimester. Conclusion: Molecular diagnosis is a preferable method when a prompt decision is necessary.

Phylogenetic position of eight Amphora sensu lato (Bacillariophyceae) species and comparative analysis of morphological characteristics

  • Wang, Pengbin;Park, Bum Soo;Kim, Jin Ho;Kim, Joo-Hwan;Lee, Hae-Ok;Han, Myung-Soo
    • ALGAE
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    • v.29 no.2
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    • pp.57-73
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    • 2014
  • Amphora Ehrenberg ex Kutzing sensu lato is a common and widespread benthic diatom genus with a taxonomy that has been under continual revision, particularly based on molecular analyses. Although Amphora species have been studied using modern microscopy in recent years, there has not been much progress on molecular characterization of the species, especially in Asia. In this study of Amphora, sampling was carried out from September 2009 to August 2010 in Korean coastal waters. The morphological and molecular characteristics of eight Amphora sensu lato were examined: Amphora marina, A. proteus, Halamphora costata, H. coffeaeformis, H. eunotia, H. holsatica, H. terroris, and Halamphora sp. Based on previous accounts, morphology suggested that A. marina and A. proteus belong to the subgenus Amphora Cleve, which have smooth girdle bands and rather coarse and very distinct areolae on the valve. The other species, H. coffeaeformis, H. costata, H. eunotia, H. holsatica, H. terroris, and Halamphora sp. belong to the subgenus Halamphora Cleve, which was recently elevated to generic status by Levkov 2009, have plicate girdle bands, puncta which do not form straight longitudinal lines, valves which have a narrow ventral portion and apices that are generally rostrate-capitate and recurved. In agreement with analysis based on morphological characteristics, phylogenetic analysis based on small subunit rDNA suggested that the eight Amphora sensu lato species were not a monophyletic group as the morphological classification. Also, the results of molecular work and statistical analysis on all these Amphora sensu lato combined with phylogenic analysis on our geographically representative samples give strong evidence that Halamphora Levkov is independent of Amphora Cleve. Furthermore, in this study, Amphora terroris was transferred Halamphora as Halamphora terroris (Ehrenberg) Wang comb. nov. and Amphora marina was recorded for the first time in Korea.