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Flexible Docking of an Acetoxyethoxymethyl Derivative of Thiosemicarbazone into Three Different Species of Dihydrofolate Reductase

  • Choi, In-Hee;Kim, Choon-Mi
    • Archives of Pharmacal Research
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    • v.25 no.6
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    • pp.807-816
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    • 2002
  • Dihydrofolate reductases (DHFR) of human, Candida albicans and E. coli were docked with their original ligands of X-ray crystal complex using QXP (Quick eXPlore), a docking program. Conditions to reproduce the crystal structures within the root mean square deviation (rmsd) of 2.00 $\AA$ were established. Applying these conditions, binding modes and species-specificities of a novel antibacterial compound, $N^4-(2-acetoxyethoxymethyl)-2-acetylpyridine$ thiosemicarbazone (MTSC), were studied. As the results, the docking program reproduced the crystal structures with average rmsd of six ligands as 0.91 $\AA$ ranging from 0.49 to 1.45 $\AA$. The interactions including the numbers of hydrogen bonds and hydrophobic interactions were the same as the crystal structures and superposition of the crystal and docked structures almost coincided with each other. For AATSC, the results demonstrated that it could bind to either the substrate or coenzyme sites of DHFR in all three species with different degrees of affinity. It confirms the experimentally determined kinetic behavior of uncompetitive inhibition against either the inhibitor or the coenzyme. The docked MTSC overlapped well with the original ligands and major interactions were consistent with the ones in the crystal complexes. The information generated from this work should be useful for future development of antibacterial and antifungal agents.

Ginseng radix Suppresses Ischemia-induced Increase in c-Fos Expression and Apoptosis in the Hippocampal CA1 Region in Gerbils

  • Park, Keung-Ryol;Jang, Mi-Hyeon;Kim, Chang-Ju;Lee, Choong-Yeol
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.19 no.1
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    • pp.224-229
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    • 2005
  • Ginseng radix, the root of Panax ginseng C.A.Meyer (Araliaceae), has traditionally been used for the treatment of various disorders including cerebrovascular accident (CVA). In the present study, the effect of Ginseng radix on c-Fos expression and apoptosis in the hippocampal CA1 region of gerbils following transient global ischemia was investigated via immunohistochemistry for c-Fos and caspase-3 and terminal deoxynucleotidyl transferase-mediated dUTP nick end labeling (TUNEL) assay. Enhanced c-Fos-, TUNEL-, and caspase-3-positivities were detected in the hippocampal CA1 region in ischemic gerbils. Administration of the aqueous extract of Ginseng radix suppressed this ischemia-induced increment in the numbers of c-Fos-, TUNEL-, and caspase-3-positive cells. These results suggest that Ginseng radix has an inhibitive effect on the induction of c-Fos expression and apoptosis seen following transient global ischemia.

Inhibitory Activity of Three Varieties of Adlay (Coix Seed) on Adipocyte Differentiation in 3T3-L1 cells

  • Lee, Mi-Kyeong;Shin, Eun-Jin;Liu, Qing;Hwang, Bang-Yeon;Lee, Jung-Bok;Kim, Sun-Yeou;Lee, Jae-Hak
    • Natural Product Sciences
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    • v.16 no.4
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    • pp.291-294
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    • 2010
  • In obesity, adipocytes undergo abnormal growth characterized by increased cell numbers and differentiation. Thus, inhibition of mitogenesis of preadipocytes and their differentiation to adipocytes would be beneficial for the prevention and progression of obesity. In the present study, we attempted to evaluate antiadipogenic activity of adlay (Coix seed, the seed of Coix lacryma-jobi L. var. ma-yuen Stapf) employing preadipocytes cell line, 3T3-L1 as an in vitro assay system. Because several varieties of adlay are in use in Korea, anti-adipogenic activity of three varieties of adlay such as Sang-Gang, Jo-Hyun and Yulmu-Ilho was evaluated. All the three varieties of adlay showed significant inhibitory activity on adipocyte differentiation as assessed by measuring fat accumulation using Oil Red O staining. Adlay, however, showed little effects on adipocyte proliferation. Further studies with interval treatment demonstrated that adlay exerted inhibitory activity on adipocyte differentiation via acting on early stage of adipogenesis. Taken together, adlay might be useful in the prevention of obesity.

Effects of Training Methods on Growth and Yield of White Spine Cucumber 'Sharp-1' (정지방법이 백침계 오이 '샤프1호'의 생장 및 수량에 미치는 영향)

  • Choi, Young-Hah;Park, Dong-Kum;Kwon, Joon-Kook;Lee, Jae-Han
    • Horticultural Science & Technology
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    • v.17 no.5
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    • pp.569-571
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    • 1999
  • The effects of training methods on growth and yield of white spine cucumber (Cucumis sativus L. cv. Sharp-1) were examined. The numbers of nodes, leaf area and root weight were in the order of, from high to low, ateral vine, main plus lateral vine, and main vine training. The total and marketable fruit yields were higher by the lateral training method than those by the other ones. The labor required for training was in the order of, from low to high, lateral vine, main vine, and main plus lateral vine training methods.

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Growth Response of Korean Lawngrass (Zoysia Japonica Steud.) Imposed by Different Plant Densities (재식밀도를 달리한 한국 잔디의 생장반응)

  • 심재성
    • Asian Journal of Turfgrass Science
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    • v.3 no.1
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    • pp.5-12
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    • 1989
  • Tiller numbers per Unit area were increased as plant density heightened followed by little difference in tiller number in 110 days after transplanting(ll0DAT), this being caused by the immediate increment of tiller since' 90DAT During the growth period, the greatest number of green leaves per unit area was attained in 90DAT of both 160-density and 200-density plots, and in l00DAT of 40-, 80-, and I 20-density plots. Thus, the period to reach the maximum green leaf number with the high plant density was earlier than with the' low plant density. The increment of plant density increased the DM weight of ahoveground part and, with 40-densitytreatment. DNI weight was increased 6.1 times as much up to 110DAT as up to 7ODAT but 2 to 2.9 times with other ehe'nsity treatments. The' rate of increase in stolon length was greatest at the period between 80 and 90DAT when DM weight of stolon showed a large increment. Meanwhile, the average number of stolon was 1.7 at 70DAT but was increased up to 10 at 110DAT probably due to accelerative appeance of Ist stolon branch since 8.0DAT. DM weight of stolon was found to exceeded that of root after 90DAT Thus it was concluded that, when turfs is estahlished from sprig. it may be desirable for first mowing practice to be made at least within l00 days after planting.

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First Record of Box Jellyfish, Carybdea brevipedalia (Cnidaria: Cubozoa: Carybdeidae) from Korean Coastal Waters: Morphology and Molecular Descriptions

  • Chae, Jinho;Yoon, Won-Duk;Kim, ByeongHo;Ki, Jang-Seu
    • Animal Systematics, Evolution and Diversity
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    • v.33 no.1
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    • pp.8-16
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    • 2017
  • We firstly described a box jellyfish, Carybdea brevipedalia collected from the southern coasts of Korea. It is morphologically characterized by gastric phacellae, a special digestive system of cubozoan jellyfish, and velarium, the thin muscle flap forming the opening of the subumbrellar cavity. The phacellae are linear-shaped, comprising numerous cirri branched from multiple roots. Each root also has multiple numbers of cirrus bundles. Basis of velarial cannels parts into two branches in each octant of velarium. Its geographic distributions were limited to Jeju-do and the middle-southern coasts where the organisms are seriously hazardous to bathers in summer. Numerous individuals and/or large-sized populations were observed specifically from beaches at Jeju-do, Namhae-do and a small fishing port of Namildae, while only a small amount of the individuals was observed in Gamak Bay, Jaran-Goseung Bay, and Geoje-do. We confirmed molecular identity of the Korean C. brevipedalia with comparison of nuclear ribosomal DNA sequences. Until now, Carybdea brevipedalia is the only cubozoan species reported to be distributed in Korean waters.

A Numerical Study of the Effects of Mass Flow Rate Distribution on the Flow Characteristics in a Two Dimensional Multi-Jet with Crossflow of the Spent Fluid (직교류를 가지는 이차원 다중젯트에서 유량분포가 유동특성에 미치는 영향)

  • 강동진;오원태
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.19 no.8
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    • pp.1940-1949
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    • 1995
  • A numerical study for a two dimensional multi-jet with crossflow of the spent fluid has been carried out. Three different distributions of mass-flow rate at 5 jet exits were assumed to see their effects upon the flow characteristics, especially in the jet-flow region. For each distribution, various Reynolds numbers ranging from laminar to turbulent flows were considered. Results show that a fully developed laminar flow exists above a certain Reynolds number whose exact value depends upon the mass flow rate distribution. AS the Reynolds number increases, the flow becomes transitional from downstream and finally a fully developed turbulent flow forms in the jet-flow region. The critical Reynolds number where the fully developed turbulent flow forms is quite dependent upon the distribution of mass-flow rate. One interesting result is that the distribution of the skin friction coefficient along the inpingement plate in the jet-flow region shows a consistent dependency on the Reynolds number, i.e. inversely proportional to the square root of the Reynolds number, regardless of flow regime.

A Study on Sensitivity of Pollutant Dispersion to Inflow Wind Speed and Turbulent Schmidt Number in a Street Canyon (도시 협곡에서 유입류 풍속과 난류 슈미트수에 대한 대기오염물질 확산의 민감도 연구)

  • Wang, Jang-Woon;Kim, Jae-Jin
    • Atmosphere
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    • v.25 no.4
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    • pp.659-667
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    • 2015
  • In this study, sensitivity of inflow wind speed and turbulent Schmidt number to pollutant dispersion in an urban street canyon is investigated, by comparing CFD-simulated results to wind-tunnel results. For this, we changed systematically inflow wind speed at the street-canyon height ($1.5{\sim}10.0m\;s^{-1}$ with the increment of $0.5m\;s^{-1}$) and turbulent Schmidt number (0.2~1.3 with interval of 0.1). Also, we performed numerical experiments under the conditions that turbulent Schmidt numbers selected with the magnitude of mean kinetic energy at each grid point were assigned in the street canyon. With the increase of the inflow wind speed, the model underestimated (overestimated) pollutant concentration in the upwind (downwind) side of the street canyon because of the increase of pollutant advection. This implies that, for more realistic reproduction of pollutant dispersion in urban street canyons, large (small) turbulent Schmidt number should be assigned for week (strong) inflow condition. In the cases of selectively assigned turbulent Schmidt number, mean bias remarkably decreased (maximum 60%) compared to the cases of constant turbulent Schmidt number assigned. At week (strong) inflow wind speed, root mean square error decreases as the area where turbulent Schmidt number is selectively assigned becomes large (small).

Studies on the Root Nodule Formation of Soybean Cultivars (재배대두의 근류형성에 관한 조사 연구)

  • 최창열;박종성;김충수
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.23 no.2
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    • pp.105-112
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    • 1978
  • Earliness of the nodule formation was significantly different among soybean varieties. The numbers of the nodules were much various due to the origins of the soybean varieties and the date of observation. The significant positive correlations were shown between the weight of nodule and soybean yield and also between the weight of nodules and number of nodules but the correlations among the other characters were not significant.

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Yields of Ginseng Seedlings and Cultivation Methods in Ban-Yang-Jik (Semimodified Soil) Nursery (산지 반양직묘포에서 육묘방법 및 - 묘삼 생산실태)

  • 이종출;안대진;변정수
    • Journal of Ginseng Research
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    • v.12 no.1
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    • pp.68-75
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    • 1988
  • Yields of ginseng seedlings and cultivation methods were investigated in 29 Ban-Yang-Jik (semimodified soil) nurseries to obtain some information about the production of ginseng seedling. The average number of available seedlings (useful for transplanting in the main field) per Kan ($180{\times}90$ cm) was 362. The percentage of available seedlings to the total seedlings harvested (rate of available seedlings) was 45 %. Although there were severe variations in the numbers and rates of available seedlings among the nurseries surveyed, the number of available seedlings were reduced due to both the short weighted and poor shaped (obese shape with poor root development) seedlings. The number of poor shaped seedlings was negatively correlated with height of seed-bed and frequencies of irrigation. Quadratic relations were noticed between rate of available seedling and heights of front post and rear post of shade. On the other hand, negative correlation was recognized between rate of available seedling and breadth of shade, but positive correlation was noted between rate of available seedling and frequencies of irrigation.

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