• Bulletin of the Korean Chemical Society
• /
• v.34 no.6
• /
• pp.1823-1828
• /
• 2013

Tetraoxanes (1,2,4,5-tetraoxanes) have been reported to exhibit potent antimalarial activity. In the present study, the three dimensional-quantitative structure activity relationship (3D-QSAR) studies were performed on a series of tetraoxanes derivatives using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) techniques. The best predictive CoMFA model with atom fit alignment resulted in cross-validated coefficient ($q^2$) value of 0.719, non-cross-validated coefficient ($r^2$) value of 0.855 with standard error of estimate (SEE) 0.335. Similarly, the best predictive CoMSIA model was derived with $q^2$ of 0.739, $r^2$ of 0.847 and SEE of 0.344. The generated models were externally validated using test sets. The final QSAR models as well as the information gathered from 3D contour maps should be useful for the design of novel tetraoxanes having improved antimalarial activity.

• Genomics & Informatics
• /
• v.15 no.4
• /
• pp.178-182
• /
• 2017

Next-generation sequencing (NGS) technology has become a trend in the genomics research area. There are many software programs and automated pipelines to analyze NGS data, which can ease the pain for traditional scientists who are not familiar with computer programming. However, downstream analyses, such as finding differentially expressed genes or visualizing linkage disequilibrium maps and genome-wide association study (GWAS) data, still remain a challenge. Here, we introduce a dockerized web application written in R using the Shiny platform to visualize pre-analyzed RNA sequencing and GWAS data. In addition, we have integrated a genome browser based on the JBrowse platform and an automated intermediate parsing process required for custom track construction, so that users can easily build and navigate their personal genome tracks with in-house datasets. This application will help scientists perform series of downstream analyses and obtain a more integrative understanding about various types of genomic data by interactively visualizing them with customizable options.

• Bulletin of the Korean Chemical Society
• /
• v.27 no.10
• /
• pp.1531-1536
• /
• 2006

Microsomal prostaglandin $E_2$ synthase (mPGES-1) is an enzyme that is associated with inflammation, pain, fever and cancer. Hologram quantitative structure activity relationship (HQSAR) was conducted on the series of MK-886 compounds acting as mPGES-1 inhibitors. A training set with 24 compounds was used to establish the HQSAR model. The best model was chosen based on the cross-validated correlation coefficient ($q^2$=0.884) and the correlation coefficient($r^2$=0.976). The model was utilized to predict the activity of the eight-test set of compounds giving the predictive $r^2$ value of 0.845. The descriptors of the model are based on fragment distinction (atoms, bond and connectivity) and fragment size (2-5 atoms). The atomic contribution maps generated from HQSAR were useful in identifying the important structural features responsible for the inhibitory activity of MK-886 inhibitors. Based on the generated model, the presence of hydrophobic biphenyl group seems to enhance inhibition of mPGES-1 that is in agreement with the previous experiments. In addition, it seems important for a halogen to be substituted to the biphenyl ring and for an acyl group to be attached to the indole moiety for enhanced activity.

• Publications of The Korean Astronomical Society
• /
• v.10 no.1
• /
• pp.15-30
• /
• 1995

It has been recognized that the morphologies of the SNRs from the radio observation are "barrel shaped". To interpret the mechanism of the radiation and the physical state of the environments, we have analytically calculated the dynamical structure of the interacting region in the case where the ejectum has a steep power-law density profile($\rho{\sim}r^{-n}$) and the ambient medium has a shallow power-law density profile($\rho{\sim}r^{-s}$), assuming that the cosmic rays are isotropically accelerated in the shock wave and the magnetic fields are very weak. The calculated synchrotron radio maps show that the emission from the equator is intense and the emissions from the central and polar regions are less intense. Also the thicknesses of the shell are strongly dependent on s and weakly on n. The azimuthal intensity ratio $\alpha$ increases as the efficiency of the cosmic ray acceleration increases and s decreases. We compared the results with the morphology of the SNR A. D. 1006(type I SNR). It does agree with the case of s = 0, w = 0.3 - 0.5. This value for w is consistent with the results by Eichler(1979). It provides us the evidence of the cosmic ray acceleration in the shock wave.

• The Bulletin of The Korean Astronomical Society
• /
• v.40 no.2
• /
• pp.58.4-59
• /
• 2015

We have performed single dish and VLBI monitoring observations of $H_2O$ and SiO masers toward the semi-regular variable star R Crateris using the Korean VLBI Network(KVN) 4 band receiving system. In the case of VLBI observations at 3 epochs, successful superposed maps of $H_2O$ and SiO masers were obtained on 2015 May by adopting the Source Frequency Phase Referencing(SFPR) method. These results enable us to investigate the development of outflow and asymmetric motions from SiO maser to $H_2O$ maser regions according to stellar pulsation which are closely related with a mass-loss process. Single dish monitoring observations were carried out from 2009 June to 2015 May. Intensity variations between $H_2O$ and SiO masers were investigated according to stellar phases together with peak velocity variations. We will compare the VLBI results with those of single dish.

• The Bulletin of The Korean Astronomical Society
• /
• v.39 no.2
• /
• pp.63.1-63.1
• /
• 2014

The galaxy disk warp is a common phenomenon, yet their properties and formation mechanism(s) are still unclear. Here, we introduce a new automatic measurement method for the warp properties of stellar disks in nearby edge-on galaxies, including warp's angle, shape, and asymmetry. We obtain isophotal maps of edge-on galaxies and express each of isophote contours in polar coordinates (${\Phi}$, R) centered on the galaxy centers. Two peaks in the ${\Phi}$-R diagram correspond to the outermost tips of each isophote. The locations of peaks, in turn, inform us of the misalignment between their inner and outer galactic planes, i.e., the warp. We apply this method to SDSS Stripe 82 co-added data and discuss its reliability and validity. Based on the measurement of warp properties, we also investigate their correlations with both intrinsic and environmental properties of warped galaxies.

• The Journal of Korean Institute of Communications and Information Sciences
• /
• v.32 no.5B
• /
• pp.286-294
• /
• 2007

In ASIP design, compiler is required for performance evaluation of processors being designed. The design of machine specific compiler is time consuming. This paper presents the system which generates C compiler from MDL descriptions. Compiler generation using MDL can support user retargetability and concurrency between compiler design and processor design. However, it must overcome semantics gap between compiler and machine. To handle this problem, the proposed system maps behavioral descriptions to library which contains abstract behavior for each tree pattern. Using mapped instructions and information on register file usage, the proposed system generates back-end interface function of the compiler. Generated compilers, for MIPS R3000, ARM9 cores, have been proved by application programs written in C code.

• Journal of Positioning, Navigation, and Timing
• /
• v.9 no.1
• /
• pp.1-6
• /
• 2020

The Chinese BeiDou Satellite Navigation System consists of three kinds of constellations: the geostationary Earth orbit (GEO), the inclined geosynchronous satellite orbit (IGSO), and the medium Earth orbit (MEO). The BeiDou has expanded its service coverage from regional to global. Recently, the BeiDou has been widely used in ionospheric total electron content (TEC) research. In this study, we analyzed the BeiDou signals for ionospheric TEC monitoring over Jeju Island in South Korea. The BeiDou GEO TEC showed a clear pattern of diurnal variations. In addition, we compared the TEC values from the BeiDou GEO, the BeiDou IGSO, GPS, and International GNSS Service (IGS) Global Ionosphere Maps (GIM). There was a difference of about 5 TEC units between the BeiDou GEO and the IGS GIM. This may be due to the altitude difference between the different navigation satellites.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.7
• /
• pp.2065-2071
• /
• 2014

${\beta}$-Secretase (beta-amyloid converting enzyme 1 [BACE1]) is involved in the first and rate-limiting step of ${\beta}$-amyloid ($A{\beta}$) peptides production, which leads to the pathogenesis of Alzheimer's disease(AD). Therefore, inhibition of BACE1 activity has become an efficient approach for the treatment of AD. Ligand-based and docking-based 3D-quantitative structure-activity relationship (3D-QSAR) studies of acyl guanidine analogues were performed with comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) to obtain insights for designing novel potent BACE1 inhibitors. We obtained highly reliable and predictive CoMSIA models with a cross-validated $q^2$ value of 0.725 and a predictive coefficient $r{^2}_{pred}$ value of 0.956. CoMSIA contour maps showed the structural requirements for potent activity. 3D-QSAR analysis suggested that an acyl guanidine and an amide group in the $R_6$ substituent would be important moieties for potent activity. Moreover, the introduction of small hydrophobic groups in the phenyl ring and hydrogen bond donor groups in 3,5-dichlorophenyl ring could increase biological activity.

• Molecular & Cellular Toxicology
• /
• v.3 no.3
• /
• pp.159-164
• /
• 2007

Stimulation of epidermal growth factor receptor (EGFR) is essential in signaling pathway of tumor cells. Thus, EGFR has intensely studied as an anticancer target. We developed hologram quantitative structure activity relationship (HQSAR) models for data set which consists of tricyclic azepine derivatives showing inhibitory activities for EGFR. The optimal HQSAR model was generated with fragment size of 6 to 7 while differentiating fragments having different atom and connectivity. The model showed cross-validated $q^2$ value of 0.61 and non-cross-validated $r^2$ value of 0.93. When the model was validated with an external set excluding one outlier, it gave predictive $r^2$ value of 0.43. The contribution maps generated from this model were used to interpret the atomic contribution of each atom to the overall inhibition activity. This can be used to find more efficient EGFR inhibitors.