• Title/Summary/Keyword: D2Q6

Search Result 487, Processing Time 0.033 seconds

3D-QSAR Studies of 8-Substituted-2-aryl-5-alkylaminoquinolines as Corticotropin-releasing Factor-1 Receptor Antagonists

  • Nagarajan, Santhosh Kumar;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
    • /
    • v.8 no.3
    • /
    • pp.176-183
    • /
    • 2015
  • Corticotropin-releasing actor receptors (CRFRs) activates the hypothalamic pituitary adrenal axis, one of the 2 parts of the fight or flight response to stress. Increased CRH production has is associated with Alzheimer's disease and major depression and hypoglycemia. In this study, we report the important structural and chemical parameters for CRFR inhibitors using the derivatives of 8-substituted-2-aryl-5-alkylaminoquinolines. A 3D QSAR study, Comparative molecular field analysis (CoMFA) was performed. The best predictions were obtained for the best CoMFA model with a $q^2$ of 0.607 with 6 components and $r^2$ of 0.991. The statistical parameters from the generated CoMFA models indicated that the data are well fitted and have high predictive ability. The contour map resulted from the CoMFA models might be helpful in the future designing of novel and more potent CRFR derivatives.

Phenolic Compounds from Acer tegmentosum Bark (산겨릅나무 수피의 페놀성 화합물)

  • Kwon, Dong-Joo;Bae, Young-Soo
    • Journal of the Korean Wood Science and Technology
    • /
    • v.35 no.6
    • /
    • pp.145-151
    • /
    • 2007
  • To investigate the chemical constituents of Acer tegmentosum, the bark were collected, air-dried and extracted with 70% aqueous acetone. Then it was successively partitioned with n-hexane, $CH_2Cl_2$, EtOAc and $H_2O$. Repeated Sephadex LH-20 column chromatography on the EtOAc soluble fraction gave five phenolic compounds. Their structures were elucidated as (+)-catechin (1), (-)-epi-catechin (2), Q-epicatechin-3-O-gallate (3), gallic acid (4) and 6'-0-galloylsalidroside (5) on the basis of spectroscopic evidences using $^1H-NMR$, $^{13}C-NMR$, 2D-NMR and MS spectroscopy, (-)-epicatechin-3-Ogallate (3), gallic acid (4), 6'-Ogalloylsalidroside (5) have not been reported in this plant yet.

Detection of Megalocytivirus in shellfish using PCR with various DNA extraction methods (다양한 PCR용 DNA 추출법에 의한 패류 내 Megalocytivirus의 검출)

  • Kim, Jin-Woo;Cho, Mi-Young;Jin, Ji-Woong;Kim, Ki-Hong;Jeong, Hyun-Do;Kim, Kwang-Il
    • Journal of fish pathology
    • /
    • v.24 no.2
    • /
    • pp.65-73
    • /
    • 2011
  • In analysis of DNA viruses from the contaminated shellfish using PCR, preparation method of template DNA is an important factor to get enough copy number of viruses. In this study, we evaluated the efficiency of PCR template of Megalocytivirus (sT50mg-D) DNA obtained from 50 mg digestive gland homogenate of oyster using commercial method, and compared with that obtained from 5 g of the same tissues (T5g-D) after PEG precipitation procedures of virus. Both templates DNA suspended in the same volume of distilled water showed positive results by primary PCR with 35 cycles, and the presence of Megalocytivirus was confirmed in oysters collected from cultured farms in Korea. Moreover, PCR with sT50mg-D allowed us to discriminate the contaminated oyster individually, that can not be done in PCR with T5g-D prepared from the mixture of three different individual oyster to get 5 g digestive gland homogenate. In quantitative analysis with real time PCR, Megalocytivirus concentrations in 50 ${\mu}l$ templates prepared using 0.5~50 mg of one positive sample were appeared in the range 6.14E+00~1.2E+02/${\mu}l$. We were not able to get positive result using template DNA contained less than 6.14E+00 copies. Consequently, 2-step PCR performed with DNA extracts from oyster homogenate of small amount (sT50mg-D) i) was enough to detect the contaminated Megalocytivirus in shellfish, ii) allowed us to do the analysis for individual shellfish rather than mixture of several shellfish and iii) showed the presence of Megalocytivirus in oyster from Korea.

Relationship-type R&D Portfolio Method for Selection of Core Technology (중점기술 선정을 위한 관계분석형 R&D 포트폴리오 방법)

  • Gam, Hyemi;Seo, Min Woo;Kim, Chansoo
    • Journal of the Korea Academia-Industrial cooperation Society
    • /
    • v.19 no.6
    • /
    • pp.677-682
    • /
    • 2018
  • The relationship-type research and development (R&D) portfolio is a method for selecting core technologies based on their unique purposes and characteristics when the criteria for selecting them are independent. This study presents a relationship-type R&D portfolio method as a way to derive core technologies, and describes the methodology by dividing it into three steps: 1) analyze the relationships between selection criteria and analytical indicators, 2) form a portfolio matrix that best matches each selection criteria, and 3) derive the core technologies. In this study, the relationships between four selection criteria for selecting core technologies and the analytical indicators for identifying the technology level, economics, and the technology itself, are written in a table with HoQ. Based on the relationship table, analytical indicators to be considered were derived to satisfy each selection criterion, and the derived analytical indicators and the selected technologies were constructed with two axes in the portfolio matrix. The satisfied portfolio, P0, that satisfies all four criteria, and the portfolio, P1~P4, that satisfies selection criteria based on the unique characteristics of the four criteria, were constructed, and core technologies derived. The selected core technologies can be utilized in selecting a core area against the future security environment through a process like key word analysis based on the specifications.

Localization of Quantitative Trait Loci for Bone Mineral Density on Chromosome 13 in the Mongolian Population

  • Seo, Soo-Hyun;Lim, Hae-Jeng;Ahn, Se-Jin;Lee, Joseph;Kim, Jong-Il
    • Genomics & Informatics
    • /
    • v.7 no.3
    • /
    • pp.152-158
    • /
    • 2009
  • Although the genetic basis for bone mineral density (BMD) has been studied by many groups so far, genes responsible for this complex trait has not been completely revealed. In order to localize quantitative trait loci (QTLs) for BMD variation in Asian population, the study was designed using a group of Mongolian population, a genetically closed population with a homogeneous lifestyle. BMD was measured at the left and right wrists and ankles using DEXA in 1,082 participants from 142 families. Genotyping of 13 polymorphic microsatellite markers on chromosome 13 (average spacing 8-9 cM) and two-point and multipoint linkage analysis were performed. In two-point linkage analysis, we identified two markers, D13S175 (6.03 cM) and D13S265 (68.73 cM) that had LOD scores greater than 1 for left ankle (LOD=2.09, LOD=1.49, respectively). We also found a marker D13S175 (6.03 cM) with a high LOD for left wrist (LOD=1.49) and the markers D13S265 (68.73 cM) and D13S217 (17.21 cM) for the right wrist (LOD= 1.82, LOD= 1.62, respectively). Among these significant marker regions, only two regions at 17 cM (13p11) and 65 cM (13q21) for the right wrist overlapped with major QTLs reported in following multipoint linkage analysis (LOD= 1.7549, LOD=1.4462, respectively). This study provides the possible evidence of the presence of QTLs affecting right wrist BMD in Mongolian populations on 13p11 and 13q21. Modest evidence was also found for genes affecting left ankle and left wrist BMD on 13p13.

Studies on the fungicidal action and its physico-chemical properties of phenylmercuric 8-oxyquinolinate (Phenylmercuric 8-oxyquinolinate의 살균작용 및 이의 이화학적 성질에 관한 연구)

  • Sohn C. Y.;Kang I. M.;Lee S. H.
    • Korean journal of applied entomology
    • /
    • v.4
    • /
    • pp.11-18
    • /
    • 1965
  • In order to investigate the fungicidal activities against various plant pathogenes, diminishing effect of plant transpiration, phytotoxicities, vapor effect and the rate of reduction by ultraviolet rays of phenylmercuric 8-oxyquinolinate(P.M.Q), this experiments were undertaken under various laboratory conditions. 1. Inhibitory activity on the spore germination of this chemical was shown less effective than that of P.M.A..(Table 2, Table 3, Table 4, Table 5 and Table 6) Also, P.M.Q. was resulted a somewhat higher inhibitory activity on the hyphae growth than P.M.A. (Table 7). 2. In the diminishing effect of plant transpiration, 8-hydroxyquinoline sulfate(oxine sulfate) was more strong inhibitory at first than P.M.Q., while, at last, P.M.Q. was more strong inhibitory in comparison with oxine sulfate(Table 8, Fig. 1 and Table 9). 3. P.M.Q. was shown less injury on the germination of rice plant seeds and the emergence of their roots than P.M. A.(Table 10). Injuries was not observed on the rice seedlings and soy-bean seedlings sprayed with 40 ppm of this chemical. 4. P.M.A. had more inhibitory effects on the mycelial growth of phytopathogenes than P.M.Q. on the vapor effect (Table 11, Fig. 2). 5. Biological activity and chemical decomposition rate of P.M.A. were greatly reduced by exposure of this compound to ultraviolet rays. But, P.M.Q. was only slightly affected by similar treatment(Table 12, Fig. 3, Table 13 and Fig. 4). From the above results, this chemical will be a promising fungicide adding fungitoxicities against various phytopatho genes, diminishing effect of plant transpiration and physico-stability.

  • PDF

Understanding the Protox Inhibition Activity of Novel 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene Derivatives Using Holographic Quantitative Structure-Activity Relationship (HQSAR) Methodology (홀로그램(H) QSAR 방법에 따른 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene 유도체들의 Protox 저해 활성에 관한 이해)

  • Song, Jong-Hwan;Park, Kyeng-Yong;Sung, Nack-Do
    • Applied Biological Chemistry
    • /
    • v.47 no.3
    • /
    • pp.351-356
    • /
    • 2004
  • Holographic quantitative structure activity relationships (HQSAR) as 2D QSAR between the herbicidal activities against root and shoot of rice plant (Orysa sativa L.) and barnyardgrass (Echinochloa crus-galli), and structures of A=3,4,5,6-tetra-hydrophthalimino, B = 3-chloro-4,5,6,7-tetrahydro-2H-indazolyl and C = 3,4-dimethylmaleimino substituents in 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene derivatives were studied and discussed. The statistical results of four HQSAR models for the herbicidal activities against root and shoot of the two plants showed the best predictability of the herbicidal activities based on the cross-validated $r^2\;_{cv}\;(q^2=\;0.760{\sim}0.924)$, non cross-validated conventional coefficient $(r^2\;_{ncv}\;=\;0.868{\sim}0.970)$ and PRESS values $(0.123{\sim}0.261)$. The results indicated that the qualities of HQSAR models for barnyardgrass were slightly higher than that of rice plant. And also, the predictability of HQSAR models were higher $(q^2\;=\;HQSAR\;>\;CoMFA)$ than CoMFA but the conventional coefficients of HQSAR models lower $(r^2\;=\;HQSAR\;<\;CoMFA)$ than CoMFA. Moreover, from the contribution maps, it was founded that the selectivity between the two plants depends upon the 2-fluoro-4-chloro-5-alkoxyanilino and $R_3$ substituent on the C-phenyl ring. These features suggest where to modify a molecular structure in order to improve its selective of herbicidal activities against barnyardgrass.

Chemical Constituents of Nelumbo nucifera Seeds

  • Rho, Taewoong;Yoon, Kee Dong
    • Natural Product Sciences
    • /
    • v.23 no.4
    • /
    • pp.253-257
    • /
    • 2017
  • The phytochemical study for the extract of Nelumbo nucifera (Nymphaceae) seeds has led to the isolation of ten compounds including five simple phenolic compounds, two indole derivatives, a flavonoid glycoside, two abscisic acid derivatives. The interpretation of 1D and 2D NMR and ESI-Q-TOF-MS spectroscopic data revealed the chemical structures of isolates to be p-hydroxybenzoic acid (1), protocatechuic acid (2), (E)-p-coumaric acid (3), (E)-ferulic acid (4), (E)-sinapate-4-O-${\beta}$-$\text\tiny{D}$-glucopyranoside (5), tryptophan (6), 3-indoleacetic acid (7), isoschaftoside (8), dihydrophaseic acid (9), dihydrophaseic acid 3'-O-${\beta}$-$\text\tiny{D}$-glucopyranoside (10). To the best of our knowledge, 1 - 5 and 7 were identified for the first time from N. nucifera seeds, and the presence of dihydrophaseic acid (9) and its glucoside (10) were demonstrated secondly in this plant.

Design of Novel JNK3 Inhibitors Based on 3D-QSAR In Silico Model

  • Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
    • /
    • v.5 no.1
    • /
    • pp.6-12
    • /
    • 2012
  • c-Jun N-terminal kinase-3 (JNK-3) has been identified as a promising target for neuronal apoptosis and has the effective therapeutic for neurodegenerative diseases such as Parkinson's disease, Alzheimer's disease, and other CNS disorders. Herein, we report the essential structural and chemical parameters for JNK-3 inhibitors utilizing comparative molecular field similarity indices analysis (CoMSIA) using the derivatives of 3,5-disubstituted quinolines. The best predictions were obtained CoMSIA model (q2=0.834, r2=0.987) and the statistical parameters from the generated 3D-QSAR models were indicated that the data are well fitted and have high predictive ability. The resulting contour map from 3D-QSAR models might be helpful to design novel and more potent JNK3 derivatives.

Development and Performance Compensation of the Extremely Stable Transceiver System for High Resolution Wideband Active Phased Array Synthetic Aperture Radar (고해상도 능동 위상 배열 영상 레이더를 위한 고안정 송수신 시스템 개발 및 성능 보정 연구)

  • Sung, Jin-Bong;Kim, Se-Young;Lee, Jong-Hwan;Jeon, Byeong-Tae
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
    • /
    • v.21 no.6
    • /
    • pp.573-582
    • /
    • 2010
  • In this paper, X-band transceiver for high resolution wideband SAR systems is designed and fabricated. Also as a technique for enhancing the performance, error compensation algorithm is presented. The transceiver for SAR system is composed of transmitter, receiver, switch matrix and frequency generator. The receiver especially has 2 channel mono-pulse structure for ground moving target indication. The transceiver is able to provide the deramping signal for high resolution mode and select the receive bandwidth for receiving according to the operation mode. The transceiver had over 300 MHz bandwidth in X-band and 13.3 dBm output power which is appropriate to drive the T/R module. The receiver gain and noise figure was 39 dB and 3.96 dB respectively. The receive dynamic range was 30 dB and amplitude imbalance and phase imbalance of I/Q channel was ${\pm}$0.38 dBm and ${\pm}$3.47 degree respectively. The transceiver meets the required electrical performances through the individual tests. This paper shows the pulse error term depending on SAR performance was analyzed and range IRF was enhanced by applying the compensation technique.