• 통합자연과학논문집
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• 제8권4호
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• pp.267-272
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• 2015

Galactosemia is a potentially lethal disorder caused by the deficiency of the enzyme galactose-1-phosphate uridyltransferase (GALT) within the Leloir pathway. Galactokinase (GALK) is the enzyme in Leloir pathway which converts ${\alpha}$-D galactose to galactose 1-phosphate. The elevated level of galactose-1-phosphate, the product of GALK plays a major role in Galactosemia. Therefore the inhibition of GALK is a novel therapy for this disorder. Hence in the present study, we performed molecular docking of twenty inhibitors with different activity against galactokinase into the active site of galactokinase enzyme. The binding mode of these inhibitors was obtained using Surflex dock program interfaced in Sybyl-X2.0. The residues such as SER141, TYR109, ARG105, ARG228, TYR106, GLY346, GLY136, ASP86, ASP186 and SER142 found to interact with inhibitors.

• 대한약학회:학술대회논문집
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• 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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• pp.159.1-159.1
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• 2003

Human Topoisomerase I (topo I) helps the control of DNA supercoiling in cells by assisting breaking and religation of DNA strand. It is essential for cellular metabolism and survival, hence, a good target for a novel class of anticancer drugs. As topo I inhibitor binds to the DNA-topo I complex, the religation of DNA strand is suppressed which results in the death of the target cell. Seven compounds of H-Imidazo［4, 5-g］phthalazing-4, 9-dione derivatives with $IC_50$ in the range of 0.001 and 6.27 $\mu$M in 5 different cancer cells and four compounds of 7-chloro-6-quinazoline-5, 8-dione derivatives with positive and negative topo I inhibition activities were studied. (omitted)

• Bulletin of the Korean Chemical Society
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• 제31권12호
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• pp.3644-3652
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• 2010

The metallo-$\beta$-lactamases ($M{\beta}Ls$) are clinically significant enzymes which readily hydrolyze most $\beta$-lactam antibiotics. Discovering potential inhibitors for the $M{\beta}Ls$ is an expensive, time consuming endeavor. Virtual screening can sieve out inhibitor candidates with incompatible features prior to synthesis, decreasing these costs. Using Autodock 4.0, the binding locations and energies of four previously-studied potential inhibitors and four additional compounds obtained from the National Cancer Institute (NCI) database were computationally calculated. Based on the docking models of these eight compounds, we then designed several hypothetical inhibitor structures, compounds A through F, and performed their respective docking experiments. The docking results for compound F showed that it binds to the zinc containing active sites with a lowest predicted binding energy of -6.70 kcal/mol, suggesting F is the most likely potential $M{\beta}L$ inhibitor.

• Archives of Pharmacal Research
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• 제29권11호
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• pp.1006-1017
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• 2006

A series of 3-(substituted-benylidene)-1, 3-dihydro- indolin-2-one, 3-(substituted-benylidene)-1, 3-dihydro- indolin-2-thione and 2, 2'-dithiobis 3-(substituted-benylidene)-1, 3-dihydro-indole derivatives was investigated as inhibitor of $p60^{c-Src}$tyrosine kinase by performing receptor docking studies and inhibitory activity toward tyrosine phosphorylation. Some compounds were shown to be docked at the site, where the selective inhibitor PP1 [1-tert-Butyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidine-4-yl-amine] was embedded at the enzyme active site. Evaluation of all compounds for the interactions with the parameters of lowest binding energy levels, capability of hydrogen bond formations and superimposibility on enzyme active site by docking studies, it can be assumed that 3-(substituted-benzylidene)-1, 3-dihydro-indolin-2-one and thione derivatives have better interaction with enzyme active site then 2, 2'-dithiobis 3-(substituted-benzylidene)-1, 3-dihydro indole derivatives. The test results for the inhibitory activity against tyrosine kinase by Elisa method revealed that 3-(substituted-benylidene)-1, 3-dihydro- indolin-2-thione derivatives have more activity then 3-(substituted-benylidene)-1, 3-dihydro- indolin-2-one derivatives.

• 한국균학회지
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• 제24권3호통권78호
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• pp.214-222
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• 1996

목질진흙버섯(상황버섯)은 약용버섯으로써 강력한 항종양 효과를 나타내는 것으로 잘 알려져 있으나, 자실체형성 및 발육에 관한 인공재배는 이루어지지 않고 있으므로, 본 연구는 목질진흙버섯균의 균사체 생육에 미치는 주요 인자에 대한 배양적 특성을 구명하여 인공재배 검토를 위한 기초자료를 얻기 위해 수행한 결과이다. 1. 균주의 균사배양에 적합한 온도는 $25{\sim}30^{\circ}C$, pH는 $6.0{\sim}7.0$의 범위였고, 균사생장 및 증식에 적합한 배지는 MCM, YM 및 Synthetic I 배지였다. 2. 균사생장이 양호한 탄소원으로는 단당류인 D-Glucose, D-Mannose, Dextrose였고, 질소원으로는 유기태질소원인 Cassamino acid와 아미노산류인 Glutamic acid, 복합질소원으로는 Peptone이 양호하였다. 3. 균사생장에 적합한 배지의 C/N비는 탄소원(D-Glucose)농도 2%에서 20:1이었고, 탄소원 농도가 높아질수록 균사생장은 부진하여 탄소원 농도 4% 이내가 적당하였다. 4. 유기산으로는 Gallic acid와 Silicic acid를 첨가하였을 때, 비타민으로 Biotin을 첨가하였을 때 균사생장이 촉진되었고, 무기염류는 비교적 다양하여 $KH_2PO_4,\;FeSO_4{\cdot}7H_2O,\;MgSO_4{\cdot}7H_2O,\;ZnSO_4{\cdot}7H_2O$의 최적농도가 0.05%, 0.001%, 0.02%, 0.0003%일 때 균사생장이 양호하였다.

• 한국산업보건학회지
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• 제1권1호
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• pp.68-72
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• 1991

The present investigation studied the welding fumes produced during the arc welding process at a shipyard. The air at the shipyard was sampled (between February and May, 1990) to determine the total welding fume concentration, its heavy metal content and the concentrations of different sized particles of the welding fumes. The results were as follows : 1. Forty-four out of 50 samples showed welding fume concentrations which exceeding the threshold limit value of $5mg/m^3$. The geometric mean of welding fume concentration was $9.73mg/m^3$ ($2.14-24.86mg/m^3$), and the nighest level was found at the dock assembly shop ($12.0mg/m^3$). 2. The welding fume concentration measured with personal air sampler was 4.2 times greater than that measured with area sampler. 3. Of the heavy metals analyzed, Fe was found to be the most concentrated at $1.29mg/m^3$ ; it constitued 13.3% of the total welding fume concentration. 4. Of the different sized particles that make up the welding fumes, there was a tendency for the smaller particles to be more concentrated. Particles that measured $7{\mu}$ or less in diameter constituted 85.8% of the total welding fume concentration.

• Genomics & Informatics
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• 제12권4호
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• pp.268-275
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• 2014

The harshness of legionellosis differs from mild Pontiac fever to potentially fatal Legionnaire's disease. The increasing development of drug resistance against legionellosis has led to explore new novel drug targets. It has been found that phosphoglucosamine mutase, phosphomannomutase, and phosphoglyceromutase enzymes can be used as the most probable therapeutic drug targets through extensive data mining. Phosphoglucosamine mutase is involved in amino sugar and nucleotide sugar metabolism. The purpose of this study was to predict the potential target of that specific drug. For this, the 3D structure of phosphoglucosamine mutase of Legionella pneumophila (strain Paris) was determined by means of homology modeling through Phyre2 and refined by ModRefiner. Then, the designed model was evaluated with a structure validation program, for instance, PROCHECK, ERRAT, Verify3D, and QMEAN, for further structural analysis. Secondary structural features were determined through self-optimized prediction method with alignment (SOPMA) and interacting networks by STRING. Consequently, we performed molecular docking studies. The analytical result of PROCHECK showed that 95.0% of the residues are in the most favored region, 4.50% are in the additional allowed region and 0.50% are in the generously allowed region of the Ramachandran plot. Verify3D graph value indicates a score of 0.71 and 89.791, 1.11 for ERRAT and QMEAN respectively. Arg419, Thr414, Ser412, and Thr9 were found to dock the substrate for the most favorable binding of S-mercaptocysteine. However, these findings from this current study will pave the way for further extensive investigation of this enzyme in wet lab experiments and in that way assist drug design against legionellosis.

• 식물조직배양학회지
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• 제26권1호
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• pp.7-14
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• 1999

형질전환된 소리쟁이 모상근의 기내 배양시 그 생장 특성과 anthraquinone생산성을 조사하기 위하여 소리쟁이의 모상근을 Agrobacterium rhirogenes strain $A_4$ 접종에 의하여 잎 절편으로부터 유기하여 부정근과 비교하였다. 잎 절편에서의 부정근 형성은 5 $\mu$M NAA를 첨가한 MS배지에서 가장 양호하였다. Paper electrophoresis를 통한 opine분석 결과 모상근에서만 mannopine이 검출되고 부정근에서는 검출되지 않았다. 부정근과 모상근 모두에서 2차근인 측근 근단은 호르몬을 첨가하지 않은 배지에서 신장만 할 뿐 분지하지 않았으나, 1차근인 주근의 근단은 많은 측지를 내며 빠르게 생장하였다. Anthraquinone 함량 증대에 따른 부정근과 모상근의 생장에는 MS기본 배지가 가장 양호하였다. 부정근과 모상근 배양시 생장량과 anthraquinone함량은 5% sucrose를 포함한 0.05 $\mu$M NAA와 0.1 $\mu$M kinetin으로 조성된 MS 액체 배지에서 가장 높은 것으로 나타났으며, 모상근의 anthraquinone함량은 배양 일수에 따라 증가하다가 배양 25일 이후에는 감소하였다.

• 한국항만학회지
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• 제5권2호
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• pp.19-37
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• 1991

This work aims to : establish a model of the container physical distribution system of Pusan port comprising 4 sub-systems of a navigational system, on-dock cargo handling/transfer/storage system, off-dock CY system and an in-land transport system : examine the system regarding the cargo handling capability of the port and analyse the cost of the physical distribution system. The overall findings are as follows : Firstly in the navigational system, average tonnage of the ships visiting the Busan container terminal was 33,055 GRT in 1990. The distribution of the arrival intervals of the ships' arriving at BCTOC was exponential distribution of $Y=e^{-x/5.52}$ with 95% confidence, whereas that of the ships service time was Erlangian distribution(K=4) with 95% confidence, Ships' arrival and service pattern at the terminal, therefore, was Poisson Input Erlangian Service, and ships' average waiting times was 28.55 hours In this case 8berths were required for the arriving ships to wait less than one hour. Secondly an annual container through put that can be handled by the 9cranes at the terminal was found to be 683,000 TEU in case ships waiting time is one hour and 806,000 TEU in case ships waiting is 2 hours in-port transfer capability was 913,000 TEU when berth occupancy rate(9) was 0.5. This means that there was heavy congestion in the port when considering the fact that a total amount of 1,300,000 TEU was handled in the terminal in 1990. Thirdly when the cost of port congestion was not considered optimum cargo volume to be handled by a ship at a time was 235.7 VAN. When the ships' waiting time was set at 1 hour, optimum annual cargo handling capacity at the terminal was calculated to be 386,070 VAN(609,990 TEU), whereas when the ships' waiting time was set at 2 hours, it was calculated to be 467,738 VAN(739,027 TEU). Fourthly, when the cost of port congestion was considered optimum cargo volume to be handled by a ship at a time was 314.5 VAN. When the ships' waiting time was set at I hour optimum annual cargo handling capacity at the terminal was calculated to be 388.416(613.697 TEU), whereas when the ships' waiting time was set 2 hours, it was calculated to be 462,381 VAN(730,562 TEU).

• 한국항해학회지
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• 제21권1호
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• pp.1-11
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• 1997

Because of the sharp increase of its export and import container cargo volumes contrast to the lack of related Container Terminal facility, equipment and inefficient procedure, there is now heavy container cargo congestions in Pusan Container Terminal. As a result of such a situation, many container ships avoid their calls into Pusan port. This is a major cause that in tum kads to weakening intemational competitiveness of the Korean industry. This study, therefore, aims are to make a quantitative analysis of Container Terminal System through the computer simulation, especially focusing on its 4 sub-system of a handling system, 'it is checked whether the current operation is being performed effectively through the computer simulation. The overall findings are as folIows; Firstly, average tonnage of the ships visiting the BCTOC was 32,360 G/T in from January '96, to may '96. The average arrival interval and service time of container ships at BCTOC are 5.63 hours and 18.67 hours respectively. Ship's arrival and service pattern at BCTOC was exponential distribution with 95% confidence and Erlang-4 distribution with 99% confidence. Secondly, average waiting time and number of ships was 9.9 hours, 235 ships(38%) among 620 ships. Number of stevedoring container per ship was average 747.7 TED, standard deviation 379.1 TEU and normal distribution with 99% confidence. Thirdly, from the fact that the average storage days of containers at BCTOC are 2.75 days (3.0 days when import, 2.5 days when export). it is founds that most containers were transfered to the off-dock storage areas with the free periods(5 days when import, 4 days when export), the reason for which is considered to be the insufficient storage area at BCTOC. Fourthly, in the case of gate in-out at BCTOC, occupied containers and emptied containers are 89% and 11% respectively in the gate-in, 75% and 25% seperately in the gate-out. Finally, from the quantitative analysis results for container terminal at BCTOC, ship's average wating time of ships was found to be 20.77 hours and berth occupancy rate(${\rho}$) was 0.83. 5~6 berths were required in order that the berth occupancy rate(${\rho}$) may be maintained up to 60% degree.