• Title/Summary/Keyword: GP center

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Prediction Models of P-Glycoprotein Substrates Using Simple 2D and 3D Descriptors by a Recursive Partitioning Approach

  • Joung, Jong-Young;Kim, Hyoung-Joon;Kim, Hwan-Mook;Ahn, Soon-Kil;Nam, Ky-Youb;No, Kyoung-Tai
    • Bulletin of the Korean Chemical Society
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    • v.33 no.4
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    • pp.1123-1127
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    • 2012
  • P-gp (P-glycoprotein) is a member of the ATP binding cassette (ABC) family of transporters. It transports many kinds of anticancer drugs out of the cell. It plays a major role as a cause of multidrug resistance (MDR). MDR function may be a cause of the failure of chemotherapy in cancer and influence pharmacokinetic properties of many drugs. Hence classification of candidate drugs as substrates or nonsubstrate of the P-gp is important in drug development. Therefore to identify whether a compound is a P-gp substrate or not, in silico method is promising. Recursive Partitioning (RP) method was explored for prediction of P-gp substrate. A set of 261 compounds, including 146 substrates and 115 nonsubstrates of P-gp, was used to training and validation. Using molecular descriptors that we can interpret their own meaning, we have established two models for prediction of P-gp substrates. In the first model, we chose only 6 descriptors which have simple physical meaning. In the training set, the overall predictability of our model is 78.95%. In case of test set, overall predictability is 69.23%. Second model with 2D and 3D descriptors shows a little better predictability (overall predictability of training set is 79.29%, test set is 79.37%), the second model with 2D and 3D descriptors shows better discriminating power than first model with only 2D descriptors. This approach will be used to reduce the number of compounds required to be run in the P-gp efflux assay.

Analysis of the Potent Platelet Glycoprotein IIb-IIIa Antagonist from Natural Sources

  • Kang, In-Cheol;Kim, Doo-Sik
    • BMB Reports
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    • v.31 no.5
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    • pp.515-518
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    • 1998
  • Adhesive interaction of the platelet glycoprotien IIb-IIIa (GP IIb-IIIa) with a plasma protein, such as fibrinogen, plays an important role in thrombosis and hemostasis. The specific sequence Arg-Gly-Asp (RGD) is critical for the binding of fibrinogen to platelet. To examine and characterize the GP IIb-IIIa antagonist from natural sources, we have developed a simple enzyme-linked immunosorbant assay (ELISA) system. The GP IIb-IIIa complex was purified to homogeneity from platelet Iysates by the combination of two affinity chromatographic methods using the synthetic RGD peptide (GRGDSPK)-immobilized Sepharose and wheat germ lectin-Sepharose. The synthetic peptide GRGDSP inhibits GP IIb-IIIa binding to immobilized fibrinogen with an $IC_{50}$ of $1.5\;{\mu}M$. Venoms of three different snake species and a Korean scolopendra extract have strong antagonistic activities for the binding of human fibrinogen to the platelet GP IIb-IIIa complex. The $IC_{50}$ values of the snake venom s and scolopendra were in the range of $5.5\;{\mu}g$ to $60\;{\mu}g$. These results provide meaningful information for developing antiplatelet agents.

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Source Tracking of Particular Matters using Stable Isotope Analysis and Water Quality Characteristics in Gulpo and Anyang Stream, Han-River (한강수계 굴포천과 안양천에서 안정동위원소와 수질 특성을 이용한 입자성 물질의 기원 추적)

  • Hong, Jung-Ki;Im, Jong Kwon;Son, Ju Yeon;Noh, Hye-Ran;Yu, Soon-Ju;Lee, Bo-Mi
    • Journal of Korean Society on Water Environment
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    • v.36 no.2
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    • pp.116-124
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    • 2020
  • This study aims to identify the characteristics of organic matter and pollutant sources using water quality and stable isotope ratios (δ15N, δ13C) of the two inflow tributaries (Gulpo (GP) and Anyang (AY) streams). Water samples were analyzed in June and September 2018, and the results showed that the concentrations of nutrients, such as TN and NO3-N, were increased at GP4, which is located at the downstream of sewage treatment facilities(STFs). TOC and TN ratios showed a strong positive correlation (R2 = 0.77, p<0.01) at all points except for GP4. The results of GP's stable isotope ratio analysis do not appear to be a constant cluster compared to AY because GPs with large amounts of pollutants from the industry (metal processing companies, etc.) have less tributary, shorter waterway and significantly different external sources. This could be attributed to different sources of external inflow despite its smaller number of tributaries and shorter waterways than AY. In the first half of the year, the δ155N of GP4 was affected by discharge of STFs, while AY3 seemed to have an influence of tributary than the discharge of STFs. Consequently, using water quality, stable isotope ratio and C/N, the sources of contamination in two streams with different contaminants were identified and origin was estimated.

Detection of Dimer of Rhodamine 6G Perchlorate Doped in Ormosil (Ormosil에 침투된 Rhodamine 6G Perchlorate의 이중합체의 검출)

  • Kim, Goo-Dae;Lee, Dong-A;Moon, Ji-Woong;Park, Kyung-Su
    • Analytical Science and Technology
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    • v.10 no.3
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    • pp.225-229
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    • 1997
  • The stability of Rhodamine 6G Perchlorate(Rh6GP) doped in organically modified silicate(Ormosil) was investigated after the Ormosil was synthesized by sol-gel process. The composition of the Ormosil which makes organic dye molecules stable and dimer-free was decided from comparing absorption peaks of dye molecules in sol state, in wet gel and in completely dried gel. The stable and dimer-free Rh6GP doped in the Ormosil was achieved in the 0.1 molar ratio of HCl/TEOS.

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Introduce of New Polymerization Methods for Pressure Sensitive Adhesive (새로운 점착제 합성법 소개)

  • Aota, Hashiramoto;Ko, Sei Youn;Lim, Yong Kwann;Lee, Sang Kuk
    • Journal of Adhesion and Interface
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    • v.3 no.2
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    • pp.45-52
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    • 2002
  • 기존의 점착제 합성방법에서 탈피하여 용액형 점착제(Solution)의 장점과 입자형 점착제(Emulsion)의 장점을 동시에 보유한 NAD (Non-Aqueous Dispersion Polymer)를 합성하였다. NAD는 메탄올 분위기에서 6개월 이상의 분산 안정성을 유지하였다. NAD는 용액에서 입자형 고분자의 형태를 이루고 있음을 도공 공정에서 확인하였다. 또한 기존의 아크릴 점착제의 장점과 고무계점착제의 장점을 결합한 고분자량의 점착제, GP (Graft Polymer)를 합성하였다. GP는 자체가 매우 높은 분자량을 보유하여 가교제의 첨가 없이도 우수한 물성을 나타내었다. GP는 일반적으로 고 분자량의 고분자에서 나타나는 Weissenberg effect 현상을 나타내었다. 이들의 점착제로 응용시 각각의 물성을 비교하여 나타내었다.

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Ginseng polysaccharides: A potential neuroprotective agent

  • Wang, Na;Wang, Xianlei;He, Mengjiao;Zheng, Wenxiu;Qi, Dongmei;Zhang, Yongqing;Han, Chun-chao
    • Journal of Ginseng Research
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    • v.45 no.2
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    • pp.211-217
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    • 2021
  • The treatments of nervous system diseases (NSDs) have long been difficult issues for researchers because of their complexity of pathogenesis. With the advent of aging society, searching for effective treatments of NSDs has become a hot topic. Ginseng polysaccharides (GP), as the main biologically active substance in ginseng, has various biological properties in immune-regulation, anti-oxidant, anti-inflammation and etc. Considering the association between the effects of GP and the pathogenesis of neurological disorders, many related experiments have been conducted in recent years. In this paper, we reviewed previous studies about the effects and mechanisms of GP on diseases related to nervous system. We found GP play an ameliorative role on NSDs through the regulation of immune system, inflammatory response, oxidative damage and signaling pathway. Structure-activity relationship was also discussed and summarized. In addition, we provided new insights into GP as promising neuroprotective agent for its further development and utilization.

In silico Study on the Interaction between P-glycoprotein and Its Inhibitors at the Drug Binding Pocket

  • Kim, Namseok;Shin, Jae-Min;No, Kyoung Tai
    • Bulletin of the Korean Chemical Society
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    • v.35 no.8
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    • pp.2317-2325
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    • 2014
  • P-glycoprotein (P-gp) is a member of the ATP-Binding Cassette transporter superfamily and mediates transmembrane efflux of many drugs. Since it is involved in multi-drug resistance activity in various cancer cells, the development of P-gp inhibitor is one of the major concerns in anticancer therapy. Human P-gp protein has at least two "functional" drug binding sites that are called "H" site and "R" site, hence it has multi-binding-specificities. Though the amino acid residues that constitute in drug binding pockets have been proposed by previous experimental evidences, the shapes and the binding poses are not revealed clearly yet. In this study, human P-gp structure was built by homology modeling with available crystal structure of mouse P-gp as a template and docking simulations were performed with inhibitors such as verapamil, hoechst33342, and rhodamine123 to construct the interaction between human P-gp and its inhibitors. The docking simulations were performed 500 times for each inhibitor, and then the interaction frequency of the amino acids at the binding poses was analyzed. With the analysis results, we proposed highly contributing residues that constitute binding pockets of the human P-gp for the inhibitors. Using the highly contributing residues, we proposed the locations and the shapes of verapamil binding site and "R" site, and suggested the possible position of "H" site.

Effect of Gaeddongssuk (Artemisia annua L.) Powder on Quality and Shelf Stability of Emulsion Sausages during Refrigerated Storage

  • Ham, Hyoung-Joo;Kang, Geun-Ho;Choi, Yun-Sang;Jeong, Tae-Jun;Hwang, Ko-Eun;Kim, Cheon-Jei
    • Food Science of Animal Resources
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    • v.36 no.5
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    • pp.601-611
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    • 2016
  • The objective of this study was to evaluate effects of Gaeddongssuk powder (GP) on quality characteristics and shelf stability of emulsion sausages during storage. Proximate composition properties showed no significant differences in all treatment (p>0.05). Control showed the highest cooking loss while the treatment with GP showed decreased cooking loss depending on increasing GP content (p<0.05). Apparent viscosity of batter was increased as the amount of GP increased, whereas hardness of emulsion sausages was decreased with increasing GP level. In sensory evaluation, emulsion sausage with 0.1% GP resulted in the highest score in overall acceptability. The pH values of all treatments decreased at the early storage stage, followed by gradual increase. The lightness and redness of treatments were decreased when the level of GP was increased. However, the yellowness of sausages with GP were higher than that of control (p<0.05). The addition of GP inhibited lipid oxidation of emulsion sausages during storage depending on its level. The aerobic bacteria population and VBN was unaffected by addition of GP during the storage (p>0.05). Therefore, Gaeddongssuk powder up to 0.1% has a potential as a natural antioxidant for meat products because it can inhibit lipid oxidation of sausages without decreasing their sensory properties.

Assessment of decontamination of gutta-percha cone and the change of surface texture after rapid chemical disinfection (화학소독제 처리 후 가타파차 콘의 멸균 효과 및 표면 성상의 변화 평가)

  • Pang, Nan-Sim;Jung, Il-Young;Yu, Yoon-Jung;Kum, Kee-Yeon
    • Restorative Dentistry and Endodontics
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    • v.31 no.2
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    • pp.133-139
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    • 2006
  • The purposes of this study were firstly to identify the microbial species on gutta-percha (GP) cones exposed at outpatient clinics using polymerase chain reaction, and secondly to evaluate the rapid sterilization effect of two chemical disinfectants at chair side. It also evaluated the alteration of surface texture of GP cones after 5-min soaking into two chemical disinfectants. A total of 100 GP cones from two endodontic departments were randomly selected for microbial detection using PCR assay with universal primer. After inoculation on the sterilized GP cones with the same microorganism identified by PCR assay, they were soaked in two chemical disinfectants: 5% NaOCl and 2% chlorhexidine for 1, 3, 5, and 10 minutes. The sterilization effect was evaluated by turbidity and subculture. The change of surface textures using a scanning electron microscope was also examined after 5 min-soaking in two chemical disinfectants. Results showed that four bacterial species were detected in 17 GP cones, and all the species belonged to the genus Staphylococcus. Two chemical disinfectants were effective in sterilization with just 1 minute soaking. On the SEM picture of NaOCl-soaked GP cone, a cluster of cuboidal crystals was seen on the cone surface. Present data demonstrate that two chemical disinfectants are useful for rapid sterilization of GP cone just before obturation at chair side, while CHX-soaked GP cone has cleaner surface without crystal precipitation than that of NaOCl-treated cone.