• 제목/요약/키워드: Structures and activity relationship

검색결과 62건 처리시간 0.028초

Cytotoxicities of Ginseng Saponins and their Degradation Products against some Cancer Cell Lines

  • Baek, Nam-In;Kim, Dong-Seon;Lee, You-Hui;Park, Jong-Dae;Lee, Chun-Bae;Kim, Shin-Il
    • Archives of Pharmacal Research
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    • 제18권3호
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    • pp.164-168
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    • 1995
  • In order to elucidate the cytotoxicity-structure correlation of ginseng-derived components, several prosapogenins and sapogenins were prepared from Korean red ginseng (Panax ginseng) saponins by acid hydrolysis or alkaline cleveage, and their chemical structures were identified by a combination of spectral and physical methods. Some of these degradation products showed the cytotoxic activities against various cancer cell lines, A549, SK-OV-3, SK-Mel-2, P388, L1210 and K562. The significant difference in cytotoxicity between stereoisomers was not found and the activity was inversely proportional to the number of sugars linked to sapogenins. Diol-type prosapogenins and sapogenins showed higher cytotoxicity than triol-type ones.

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Quantitative Structure-Activity Relationships (QSAR) Study on C-7 Substituted Quinolone

  • 이근우;권순영;황선구;이재욱;김호징
    • Bulletin of the Korean Chemical Society
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    • 제17권2호
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    • pp.147-152
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    • 1996
  • To see the quantitative relationship between the structures of the C-7 substituted quinolones and their antibacterial activities, theoretical parameters such as the molecular van der Waals volume, surface area and some electrostatic parameters based on the molecular electrostatic potential, which represent lipophilicity, and some quantum mechanical parameters are introduced as descriptors. The sixteen substituted quinolone derivatives and twenty bacteria are used for the study. It is found that the QSARs of C-7 substituted quinolones are obtained for eleven bacteria and our descriptors are more useful for Gram positive organisms than negative ones. It is also shown that molecular surface area (or molecular Waals volume) of the C-7 substituent and net charge of C-7 atom of the quinolones are the descriptors of utmost importance.

3D-QSAR Study of Melanin Inhibiting (S)-(+)-Decursin and its Analogues by Pharmacophore Mapping

  • Lee, Kyeong;Jung, Sang-Won;Naik, Ravi;Cho, Art E.
    • Bulletin of the Korean Chemical Society
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    • 제33권1호
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    • pp.149-152
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    • 2012
  • The (S)-(+)-decursin and its analogues are reported as potent inhibitors of melanin production in B16 murine melanoma cells. In order to understand the factors responsible for potency as well as inhibition of potency of (S)-(+)-decursin and its analogues, three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were performed. Since receptor structures are not available, a pharmacophore model was constructed. Using PHASE, we generated 3 different models and selected the seven-site model, which returned excellent statistical values ($r^2$ = 0.9127, $Q^2$ = 0.6878, Pearson-R = 0.9014). Using the generated pharmacophore model, we screened a natural products library and obtained 4'-epi-decursin as the most related compound. 4'-epidecursin is similar to (S)-(+)-decursin, but shows additional interaction possibilities with tyrosinase. The study thus sheds some light on possibility of developing more potent tyrosinase inhibitors.

한국 중년 여성의 운동 생활문화에 관한 탐색적 연구 - Q 방법론적 접근 - (An Inquiry into Exercise Behaviors of Middle-aged Women in Korea - A Q-methodological approach -)

  • 윤은자;류은정
    • 성인간호학회지
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    • 제15권1호
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    • pp.94-104
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    • 2003
  • Purpose: This study was performed to identify the factors which affected exercise and the perceived exercise behaviors in women according to Q-methodology and to provide basic strategies for health promotion of middle-aged women in Korea. Method: Q-methodology provides a scientific method for identifying perception structures that exist within certain individuals or groups. Thirty subjects in Seoul, Incheon, Chung-buk classified 35 selected Q-statements in to 9 points standard. The collected data was analyzed by using a QUANL pc program. Result: Principal component analysis identified 3 types of exercise behavior of middle-aged women in Korea and named by the researcher. They are called persistent activity preference type, living-exercise preference type, exercise mania type. In persistent activity preference type, the middle-aged women thought activity was very helpful to achieving health and releasing stress or fatigue. Also, they recognized the relationship between physical health and psychological health. In living-exercise preference type, the middle-aged women preferred maintaining stability or nonactivity to intended exercise or activity for health. In exercise mania type, the middle-aged women thought there was no other way to keep her health than to exercise. Conclusion: The findings of this study will provide the health care provider including nurse with useful information. It's very important to offer appropriate exercise intervention to the middle-aged women of each type by taking into consideration the characteristics of individual types.

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건설 산업을 중심으로 한 협력 산업과의 관계 분석 (Analysis of the Relationship between Construction Industry and Cooperation Business)

  • 문성곤;이주성;유승규;김재준
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2009년도 춘계 학술논문 발표대회 학계
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    • pp.149-153
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    • 2009
  • Today, the form of competition among companies quickly changes in new paradigm. In the past company activity was performed independently, but now dependently. With global age, that change is essential, the introduction of a system that integrates a series of courses is needed for the success of members. Nevertheless, those change are very slow in construction industry, that causes a lot of loss in project process. Construction industry produce structures with collaboration of other industries. There are difficulties that only one company make it, alone. In this trend, cooperation is essential. but the process of original brings a lot of loss From this perspective, this study will prove dependencies of construction industry. Draw out each factor from industrial cooperation, those analyze correlation with system dynamics. In conclusion, this study performs a basic research about 'Integrated Management System' of construction project.

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중매인에 관한 연구 (On The Licensed Dealer in Landing Markets)

  • 유충열
    • 수산경영론집
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    • 제5권1호
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    • pp.9-42
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    • 1974
  • Korea is a peninsular country surrounded by seas on three sides, and the fishing industry has carried out the service of suppling to the people with important anima protein. The distribution of fishery products has very complicated structures, because the production is in charge of small producers scattering along the coast all over the country, while consumpstion is made by separate homes in areas away from producing district. The relation between these two factors the structures make very complicated. The most typical and special structures of fishery distridution are distinguished in two, that is, one is landing market, the other is inland market. Landing markets have been monopolized by fishermen's cooperatives, providing with landing facilities and building sites. Fish markets played not only an important role in the landing, but distribution and price determination of catches by auction or tender. Inland markets are two types of wholesale market in consuming center, one is the terminal market for urban consumers, the other type is the local market for rural consumers. Fundamental functions of landing markets are gathering, assessment, and distribution functions. Gathering function is in charge of wholesaler in fishery cooperative. Gathering amounts are equal to gathering capacity of wholesaler and transact ability of licensed dealers as shown below model. Gathering amount=f.gathering capacity(=pre price.landing facility.account of wholesaler.distance of fishing ground.conveniency purchasing.home port)=fㆍ transact ability of licensed dealers≒f.population or port, and table 1 indicates these relationship. Assessment and distribution functions are in charge of licensed dealers in consumption side. Assessment function should bring the value in production activity through the auction between the cooperative seller and the licensed dealer as buyer. For fair trade transaction in auction, the free competition is supposed to be a prerequisite among the licensed dealers. The ideal condition for free competition is sameness in the scale of buying amount by licensed delaers, but it is almost impossible to attain its goal in actual marketing.

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Intestinal Immune Modulating Polysaccharides of Atractylodes lancea DC. Rhizomes

  • Yu, Kwang-Won
    • 한국식품영양학회:학술대회논문집
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    • 한국식품영양학회 2000년도 춘계학술심포지엄
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    • pp.1-3
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    • 2000
  • A kind of traditional herbal prescription, Sip-Jeon-Dae-Bo-Tang (TJ-48), has been reported to improve the general condition of cancer patients receiving chemotherapy and /or radiation therapy, and to accelerate hematopoietic recovery from bone marrow injury by mitomycin C. In the present studies, we found that hot-water extract from Atractylodes lancea DC. rhizomes contributed mainly to intestinal immune modulating activity of TJ-48 on Peyer's patch cells mediated-hematopoietic response. After the fractionation, ALR-5 II a-1-1, 5 II b-2-2 and 5 II c-3-1 were further purified from crude polysaccharide fraction. Chemical analyses of each fraction indicated that ALR-5 II a-1-1 mainly contained arabinogalactan fraction whereas ALR-5 II b-2-2 and 5 II c-3-1 mostly comprised pectic polysaccharide fractions as the active polysaccharide ingredients. In order to analyze the essential structure of the activity, ALR-5 II a-1-1 was treated by sequential enzymatic digestion using exo-${\alpha}$-L-arabinofuranosidase and exo-${\beta}$-D-(1\longrightarrow3)-galactanase. Based upon the results of chemical and MALDI-TOF-MS analyses and activity on the digested fractions, the galactosyl side chains consisting of 6-linked Galf and Galp over tetrasaccharide in ALR-5 II a-1-1 might be responsible for the potent intestinal immune modulating activity. To characterize moiety of ALR-5 II c-3-1 for the expression of activity, endo-${\alpha}$-D-(1\longrightarrow4)-polygal acturonase (GL-PGase) purified from dried leaves of Panax ginseng digested ALR-5 II c-3-1. The results of structural analyses and activity on the digested fractions showed that PG-2, which structurally resembles to rhamnogalacturonan II (RG II), and PG-3 (galacturono-oligosaccharides) contained potent intestinal immune modulating activity. Further purification of the other acidic fraction (ALR-5 II b-2-2) indicated that ALR-5 II b-2-2Bb showed that the most potent activity. ALR-5 II b-2-2Bb also contained the unusual component sugars characteristics in RG- II as well as PG-2 derived from ALR-5 II c-3-1, but it could not be digested with GL-PGase. The present studies of relationship between structures and intestinal immune modulating activity of the active polysaccharides purified from A. lancea DC. rhizomes suggested that neutral galactosyl chains consisting mainly of (1\longrightarrow6)-linked Galf and Galp, and RG- II -like moiety with unique component sugars, such as 2-Me-Xyl, 2-Me-Fuc, Api, AceA, Kdo and Dha should play an important role in the potent intestinal immune modulating action of A. lancea DC. rhizomes.

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Elucidation of Serpin's Conformational Switch Mechanism By Rapid Kinetic Study

  • Kang, Un-Beom;Lee, Cheolju;Baek, Je-Hyun;Seunghyun Ryu;Kim, Joon;Yu, Myeong-Hee
    • 한국생물물리학회:학술대회논문집
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    • 한국생물물리학회 2003년도 정기총회 및 학술발표회
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    • pp.62-62
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    • 2003
  • The native form of serpin (serine protease inhibitor) is kinetically trapped in metastable state. Metastability in these proteins is critical to their biological function. Serpins inhibit target proteases by forming a stable covalent complex in which the cleaved reactive site loop of the serpin is inserted into $\beta$-sheet A of the serpin with concomitant translocation of the protease to the opposite of the initial binding site. Despite recent determination of the crystal structures of a Michaelis protease-serpin complex as well as a stable covalent complex, details on the kinetic mechanism remain unsolved. In this study we constructed several $\alpha$$_1$-antitrypsin variants and examined their kinetic mechanism of loop translocation and formation of protease-serpin complex by stopped-flow experiments of fluorescence resonance energy transfer as well as quenched-flow experiment. We report here the relationship of serpin's conformational switch mechanism with Inhibitory activity. There is little direct correlation between loop insertion rate and inhibitory activity. Rather, disrupting a salt bridge between R196 and E354 accelerates loop translocation even though it impairs the inhibitory activity. Moreover, the serpin's reactive site loop is translocated, at least partially, prior to loop cleavage.

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식품의 조리.가공 공정 중 phytochemical 및 기능성의 변화 (Changes in Phytochemical Stability and Food Functionality during Cooking and Processing)

  • 김현정;전향숙
    • 한국식품조리과학회지
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    • 제22권3호통권93호
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    • pp.402-417
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    • 2006
  • Research interest on functional food and phytochemicals has mainly focused on their health effects, mechanism of action and structure-activity relationship for the development of nutraceuticals. Considering the intake of phytochemicals via the normal diet, further information is required on changes in food functionality or individual phytochemicals that occur during the cooking or processing of foods, in order to increase the intake of these bioactive compounds, because many of the unit-operating procedures involved in cooking or food processing may result in physicochemical changes of food constituents. This study reviews the changes of selected phytochemicals, i.e. flavonoids, organosulfur compounds and carotenoids, or food functionality by major cooking or processing procedures such as heating, fermentation, and pH changes. In general, heating has a negative effect on food functionality, although in some cases, mild heating increases bioactive phytochemical contents. Some phytochemicals, including anthocyanins and catechins, are stabilized in lower pH conditions. The structures of phytochemicals, including isoflavones and catechins, are changed by fermentation. The loss of bioactive compounds may be decreased by recently developed cooking or processing methods such as microwave cooking or use of high hydrostatic pressure. However, the effects of cooking and processing procedures on food functionality and phytochemicals are so diverse and dependent on test conditions that further research efforts are needed to form accurate conclusions on the effects of cooking and processing of foods.

Computer-Aided Drug Discovery in Plant Pathology

  • Shanmugam, Gnanendra;Jeon, Junhyun
    • The Plant Pathology Journal
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    • 제33권6호
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    • pp.529-542
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    • 2017
  • Control of plant diseases is largely dependent on use of agrochemicals. However, there are widening gaps between our knowledge on plant diseases gained from genetic/mechanistic studies and rapid translation of the knowledge into target-oriented development of effective agrochemicals. Here we propose that the time is ripe for computer-aided drug discovery/design (CADD) in molecular plant pathology. CADD has played a pivotal role in development of medically important molecules over the last three decades. Now, explosive increase in information on genome sequences and three dimensional structures of biological molecules, in combination with advances in computational and informational technologies, opens up exciting possibilities for application of CADD in discovery and development of agrochemicals. In this review, we outline two categories of the drug discovery strategies: structure- and ligand-based CADD, and relevant computational approaches that are being employed in modern drug discovery. In order to help readers to dive into CADD, we explain concepts of homology modelling, molecular docking, virtual screening, and de novo ligand design in structure-based CADD, and pharmacophore modelling, ligand-based virtual screening, quantitative structure activity relationship modelling and de novo ligand design for ligand-based CADD. We also provide the important resources available to carry out CADD. Finally, we present a case study showing how CADD approach can be implemented in reality for identification of potent chemical compounds against the important plant pathogens, Pseudomonas syringae and Colletotrichum gloeosporioides.