• Title/Summary/Keyword: 구조-활성 관계

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버섯의 항암효과 -영자 균사체 다당류의 항종양 활성-

  • 이준우
    • Proceedings of the Korean Journal of Food and Nutrition Conference
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    • 1997.06b
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    • pp.13-14
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    • 1997
  • 영지의 약리효과는 triterpenoid계의 저분자와 polysaccharide인 고분자로 대별할 수 있다. 저분자 물질은 항염증작용, 항알러지작용, 간암세포 성장 억제작용, 혈압 강하작용, 혈소판 응집저해작용 등이 있으며, 고분자 물질은 혈압강하작용, 정혈작용, 고지혈증 개선작용, 혈당 강하작용, 면역 증강작용 및 항종양작용 등이 있는 것으로 알려졌다. 현재까지의 영지에 관한 연구는 주로 자실체에 대한 연구가 주류를 이루고 있으며 이들의 산지, 환경조건, 채집시기 및 실험자들에 따라 약리 효과 등에 많은 차이가 있다. 이들에 대한 효과가 영지의 대표적 약리효과라고 언급하기엔 부족한 점이 많으므로 약리효과가 우수하고 일관성이 있는 영지 유래 다당류를 얻기 위한 방법으로서는 균사체의 대량배양법 및 분리방법이 확립 되어야만 한다. 본 연구에서는 새로운 항암활성 다당류의 개발을 위해 국내 자생 영지를 채집하여 검색 및 계통적 분류를 행하였으며 분리된 균주의 최적 액체배양 조건, 다당류 분리 조건, 다당류의 물리화학적 특성 및 약리활성 등에 관한 연구를 실시하였다. 그 중 약리활성이 우수한 G- lucidum IY009 균주를 선발 하였다. 구조적 특징과 종양 면역 활성과의 관계 규명을 위해, G- lucidum IY009 배양균사체로부터 다당류를 T-AS, U-AS, M-AS, S 및 H로 분획 하였다. 추출조건에 따른 다당류 GLG의 수율은 열수 추출 분획이 2.98g/l로 가장 높았으며, U-AS및 T-AS에서 각각 2.32g/l, 2.07g/l이었다. GLG의 특성을 조사하기 위하여 수용성과 비수용성으로 분리한 결과 수용성 분획은 비수용성 분획보다 높은 당 함량을 나타냈으며, T-AS는 70.3%의 당과 7.8%의 단백질로 구성 되었다. GLG 대부분의 분획들은 60~93%의 glucose로 구성된 다당류 이었으며, 주로 $\beta$-glucose로 구성된 다당류 이었다. 아미노산은 Asp 및 Glu의 산성 아미노산과 Ala, Leu 등의 함량이 높게 나타났으며, 비알칼리 추출물에서 Ser과 Thr의 함량이 높게 나타났다. 다당류 T-AS는 평균 분자량이 2,000 kD와 12kD에서 주 peak를 나타냈으며, 수용성 분획의 평균 분자량은 12kD이고 비수용성 분획은 36~2,000 kD의 평균 분자량 분포를 갖는 것으로 나타났다. IR과 NMR 분석 결과 890 cm-1에서 흡수 peak를 나타내어 $\beta$-(1,3)0glucan과 $\beta$-(1,6)-glucan의 구조를 갖는 다당류로 확인 되었다. T-AS 분획은 C:H:O:N의 함량비가 38.9:5.7:49.6:1.84%이며, 이 물질의 융점은 163 $^{\circ}C$로 연한 갈색을 나타낸다. 분리된 GLG의 항암활성 기전 규명을 위해, in vivo 항암실험, 항보체 활성능, 항체 생성능, serum protein 분비능, 대식세포의 탐식능과 활성능 및 세포간 물질 분비 등의 상관관계를 조사하였다. 다당류 GLG 분획물들 가운데 항보체의 활성이 높았던 분획은 sarcome 180에 대한 항암 활성이 높게 나타났다. 다당류 T-AS의 보체 활성화 기작은 classical과 alternative complement pathway의 양 경로를 통해 활성화 되었다. T-AS 분획은 mouse내의 특정 혈청단백을 증가시켰으며, 항체 생성능의 증가가 관찰되어 effect T 세포의 활성화가 나타나고 있음을 알 수 있었다. T-AS는 생체내 투여시에 대식세포의 탐식능이 증진되었으며, 대식세포 기능 저해제에 의한 대식세포의 기능 저해 현상이 회복되었다. 이와 같은 결과들로부터, T-AS의 항암 활성은 활성화된 보체 성분 및 당 수용체들이 존재하는 대식세포의 개입을 시사한다.

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Insecticidal Activity of N'-phenvl-N-Methylformamidine Analogues against Two Spotted Spider Mite (Tetranychus urticae) and Design of New Potent Compounds (두 점박이 응애(Tetranychus urticae)에 대한 N'-phenyl-N-methylformamidine 유도체의 살충활성과 새로운 고활성 화합물들의 설계)

  • Lee, Jae-Whang;Choi, Won-Seok;Lee, Dong-Guk;Chung, Kun-Hoe;Ko, Young-Kwan;Kim, Tae-Joon;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.14 no.3
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    • pp.191-198
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    • 2010
  • To predict and design of new potent insecticidal compounds, the two dimensional quantitative structure-activity relationships (2D-QSARs) and molecular hologram quantitative structure-activity relationships (HQSARs) between the various physicochemical parameters as descripters of N'-phenyl-N-methylformamidine analogues (1-22) and their insecticidal activity against the two spotted spider mite (Tetranychus urticae) were discussed quantitatively. From 2D-QSAR models (1 & 3), the width ($B_2$) of $R_3$-group as sterically factor and optimal total dipole moment (TDM=2.025D) of $R_4$-group were mainly influenced to increase the activity. Therefore, the activities were depend upon the $R_3$- and $R_4$-groups. Particularly, it is predicted that the activity of newly designed potent compound (PI; $EC_{50}$=0.516 ppm) by 2D-QSAR models (3) and HQSAR model F2 was about 34.3 fold higher than that of the commercialized insecticide, Amitraz ($EC_{50}$=17.7 ppm).

Adsorption Characteristics of Methyl Orange on Ginkgo Shell-Based Activated Carbon (은행 껍질 기반 활성탄의 메틸오렌지 흡착 특성)

  • Lee, Jeong Moon;Lee, Eun Ji;Shim, Wang Geun
    • Applied Chemistry for Engineering
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    • v.33 no.6
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    • pp.636-645
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    • 2022
  • In this study, we investigated the adsorption characteristics of methyl orange (MO), an anionic dye, on ginkgo shell-based activated carbon (AC). For this purpose, ACs (GS-1, GS-2, and GS-4) with different textural properties were prepared using ginkgo shells and potassium hydroxide (KOH), a representative chemical activating agent. The correlation between the textural characteristics of AC prepared and the mixing ratio of KOH was investigated using nitrogen adsorption/desorption isotherms. The MO adsorption equilibrium experiment on the prepared ACs was conducted under different pH (pH 3~11) and temperature (298~318 K) conditions, and the results were investigated by Langmuir, Freundlich, Sips and temperature-dependent Sips equations. The feasibility of the MO adsorption treatment process of the prepared AC was also investigated using the dimensionless Langmuir separation factor. The heterogeneous adsorption properties of MO for the prepared AC examined using the adsorption energy distribution function (AED) were closely related to the system temperature and textural characteristics of AC. The kinetic results of the batch adsorption performed at different temperatures can be satisfactorily explained by the homogeneous surface diffusion model (HSDM), which takes into account the external mass transfer, intraparticle diffusion, and active site adsorption. The relationship between the activation energy value obtained by the Arrhenius plot and the adsorption energy distribution function value was also investigated. In addition, the adsorption process mechanism of MO on the prepared AC was evaluated using Biot number.

Structure and herbicidal activity relationships of the 2,3-dihydro-2,3,4,6,7-penta-methylbenzofuran-5-yl substituents in 5-benzofuryl-2-[1-(alkoxyimine) alkyl]-3-hydroxycyclohex-2-en-1-ones (5-Benzofuryl-2-[1-(alkoxyimine) alkyl]-3-hydroxycyclohex-2-en-1-one 유도체의 구조-활성관계 2,3-dihydro-2,3,4,6,7-pentamethylben-zofuran-5-yl 치환체들의 구조와 제초 활성과의 관계)

  • Sung, Nack-Do;Song, Jong-Hwan;Jeon, Dong-Ju
    • The Korean Journal of Pesticide Science
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    • v.5 no.3
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    • pp.12-17
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    • 2001
  • A new 2,3-dihydro-2,3,4,6,7-pentamethylbenzofuran-5-yl substituents in 5-benzofuryl-2-[1-(alkoxyimine) alkyl]-3-hydroxycyclohex-2-en-1-ones were found to have herbicidal activity against rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) under submerged conditions. The structure activity. relationships (SARs) on the herbicidal activity of $R_1\;and\;R_2$ on the azomethine bond of 2,3-dihydro-2,3,4,6,7-pentamethylbenzofuran-5-yl subsituents were analysized. The conditions of the selective herbicide activity between rice plant (seed) and barnyard grass from the basis on the analysized SARs are assumed that the $R_2$ group of ethyl substituent ($R_1$ ) should have optimal asymmetry parameter, $(L/B_1)_{opt.}=3.96{\AA}$. And also, the $R_2$ groups consist of $C_1{\sim}C_3$ and unsaturated group such as 3-chloro-2-propenyl group was contribution to the herbicide activity.

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Studies on Biological Activity of Wood Extractives(IV) - Antimicrobial and Antioxidative Activities of Extractives from the Heartwood of Morns bombycis and Synthesized Congeneric Stilbenoids - (수목추출물의 생리활성에 관한 연구(IV) - 산뽕나무 심재 추출성분과 유연 합성 stilbenoid의 항균 및 항산화활성 -)

  • Lee, Sung-Suk;Lee, Hak-Ju;Choi, Don-Ha;Hishiyama, Shojiro;Kato, Atsushi
    • Journal of the Korean Wood Science and Technology
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    • v.28 no.3
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    • pp.70-77
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    • 2000
  • Among four compounds such as oxyresveratrol, resveratrol, morin and afzelechin isolated from the heartwood of Morns bombycis, oxyresveratrol and resveratrol which belong to stilbenoid indicated high antioxidative and antimicrobial activity, respectively. Based on this result, this experiment was carried out to elucidate the relationship between biological activities of stilbenoids and their chemical structures using two isolated and six synthesized ones prepared by Wittig reaction. Antimicrobial activity of 3,5-dihydroxystilbene(pinosylvin) devoid of hydroxyl group of B-ring was the best among the tested stilbenoids. Antimicrobial activities of the stilbenoids showed negative dependency on the number of hydroxyl groups of B-ring, that is, the fewer number of hydroxyl groups of B-ring, the higher antimicrobial activity. On the other hand, antioxidative activities of the stilbenoids indicated a positive relationship with the number of hydroxyl groups of B-ring. In tetrahydroxystilbenoids, antioxidative activities of the compounds possessing ortho-diphenol structure, 2',3,3',5- and 3,3',4',5-tetrahydroxystilbene, were superior to the others. As a result, it was concluded that resveratrol and oxyresveratrol isolated from the heartwood of M. bombycis had antimicrobial and high antioxidative activities, and these activities of stilbenoids were also dependent on the number and position of hydroxyl groups of B-ring.

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Quantitative structure-activity relationships and molecular shape similarity of the herbicidal N-substituted phenyl-3,4-dimethylmaleimide Derivatives (제초성 N-치환 phenyl-3,4-dimethylmaleimide 유도체의 정량적인 구조-활성관계와 분자 유사성)

  • Sung, Nack-Do;Ock, Hwan-Suk;Chung, Hun-Jun;Song, Jong-Hwan
    • The Korean Journal of Pesticide Science
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    • v.7 no.2
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    • pp.100-107
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    • 2003
  • To improve the growth inhibitory activity against the shoot and root of rice plant (Oryza sativa L) and barnyard grass (Echinochloa crus-galli), a series of N-substituted phenyl-3,4-dimethylmaleimdes derivatives as substrates were synthesized and then their the inhibitory activities of protoporphyrinogen oxidase (1.3.3.4), protox were measured. The quantitative structure-activity relationships (QSAR) between structures and the inhibitory activities were studied quantitatively using the 2D-QSAR method. And also, molecular sharp similarity between the substrate derivatives and protogen, substrare of protox enzyme were studied. The activities of the two plants indicated that barnyard grass had a higher activity than the rice plant and their correlation relationships have shown in proportion for each. Accordingly, the results of SARs suggest that the electron donating groups as $R_2=Sub.X$ group will bind to phenyl ring because the bigger surface area of negative charged atoms in the substrate molecule derivatives may increase to the higher the activity against barnyard grass. Based on the molecular shape similarity, when the derivatives and protogen, subsbrate of protox enzyme were superimposed by atom fitting, the similarity indices (S) were above 0.8 level but the correlation coefficients (r) between S values and the activities showed not good.

깊은준위 과도용량 분광법을 이용하여 양자점 태양전지의 결함상태가 광전변환 효율에 미치는 영향 분석

  • Lee, Gyeong-Su;Lee, Dong-Uk;Mun, Ung-Tak;Kim, Eun-Gyu;Choe, Won-Jun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.225.1-225.1
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    • 2013
  • 지난 수년간 태양전지의 광전변환 효율을 높이기 위해 자가 조립된 InAs 또는 GaSb 와 같은 양자점을 GaAs 단일 p-n 접합에 적용하는 연구를 개발해 왔다. 그러나 양자점의 흡수 단면적에 의한 광흡수도는 양자점층을 수십 층을 쌓으면 증가하지만 활성층에 결함을 생성시킨다. 생성된 결함은 운반자 트랩으로 작용하여 태양전지의 광전변환 효율을 감소시킨다. 본 실험에서는 양자점이 적용된 태양전지와 적용되지 않은 태양전지의 광전변환 효율을 비교하고, 깊은준위 과도용량 분광법을 이용하여 결함상태를 측정하고 및 비교함으로써, 활성층 내부에 생성된 결함이 광전변환 효율에 미치는 영향을 분석하였다. 소자구조는 분자선 증착 방법을 이용하여, 먼저 n-형 GaAs 기판위에 n-형 GaAs를 300 nm 증착한 후, 도핑이 되지 않은 GaAs 활성층을 3.5 ${\mu}m$ 두께로 증착하였다. 마지막으로 p-형 GaAs를 830 nm 증착함으로써 p-i-n구조를 형성하였다. 여기서, n-형 GaAs 과 p-형 GaAs의 도핑농도는 동일하게 $5{\times}1018\;cm^{-3}$ 로 하였다. 또한 양자점 및 델타도핑 층을 각각 태양전지에 적용하기 위해 활성층내에 양자점 20층 및 델타도핑 20층을 각각 형성하였다. 이때, 양자점 태양전지, 델타도핑 태양전지와 양자점이 없는 태양전지의 광전변환 효율은 각각 4.24, 4.97, 3.52%로 나타났다. 태양전지의 전기적 특성을 측정하기 위해 소자구조 위에 Au(300nm)/Pt(30nm)/Ti(30nm)의 전극을 전자빔 증착장치로 증착하였으며, 메사에칭으로 직경 300 ${\mu}m$의 p-i-n 접합 다이오드 구조를 제작하였다. 정전용량-전압 특성 및 깊은준위 과도용량 분광법을 이용하여 태양전지의 결함분석 및 이에 따른 광전변환 효율의 상관관계를 논의할 것이다.

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A Study on the Sulfur-Resistant Catalysts for Water Gas Shift Reaction II. Effect of Alkali Metal Salt on the Activity of CoMo Catalyst (황에 저항성을 가지는 수성가스 전환반응 촉매의 연구 II. CoMo 촉매의 활성에 미치는 알칼리 금속염의 영향)

  • Kim, Joon Hee;Lee, Ho In
    • Journal of the Korean Chemical Society
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    • v.42 no.6
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    • pp.696-702
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    • 1998
  • The effect of alkali metal salt on the activity of Co-Mo catalyst which has high resistance to sulfur poisoning for water gas shift reaction(WGSR) was studied. Two groups of catalysts were prepared to investigate the effects of anion and cation in alkali metal salts. For K-doped catalysts made with various potassium salts having different anion, the catalytic activity was explained to depend mainly on the BET surface area. Among the catalysts prepared by various nitrates of alkali metal as precursor, the Li-doped catalyst showed the best activity, and the others did not make significant differences giving relatively low activities. And the change of BET surface area by varying the loading of alkali metal showed a similar trend to that of activity. In this case, the activity was dependent on both BET surface area and the ratio of $Mo^{6+}$ with a tetrahedral coordination symmetry to $Mo^{6+}$ with an octahedral one, $Mo^6+[T]/Mo^{6+}[O]$ value.

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HQSAR Analyses on the Tyrosinase Inhibitory Activity of Phenyl-2,2'-methylenebis(cyclohexane-1,3-dione) Analogues (Phenyl-2,2'-methylenebis(cyclohexane-1,3-dione) 유도체의 Tyrosinase 저해활성에 관한 HQSAR 분석)

  • Kim, Sang-Jin;Kim, Young-Ok;Cho, Yoon-Ki;Choi, Won-Seok;Sung, Nack-Do
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.36 no.3
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    • pp.199-205
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    • 2010
  • The structure-activity relationships (SARs) between a series of phenyl-2,2'-methylenebis(cyclohexane-1,3-dione) analogues (1-22) as substrate molecules and their inhibitory activity against tyrosinase were studied quantitatively using molecular hologram quantitative structure-activity relationships (HQSARs). Based on the results, new compounds with the increased tyrosinase inhibitory activity were designed. In addition, statistically favored E-2 model ($q_2$ = 0.564 & $r_2$ = 0.929) was derived. It is predicted that the activity of the most potent one (P1) of compounds newly designed by the optimized HQSAR E-2 model was $Pred.pI_{50}$ = 5.48 and the predicted inhibitory activity was about 13.4 fold higher than that of the kojic acid used as standard compound.

Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. III. 3D QSAR methodologies and computer-assisted molecular design (CAMD) (정량적인 구조-활성상관 (QSAR) 기법에 의한 새로운 농약의 개발. III. 3D QSAR 기법들과 컴퓨터를 이용한 분자설계(CAMD))

  • Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.7 no.1
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    • pp.1-11
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    • 2003
  • Acoording to improvement of HTOS (high throughput organic synthesis) and HTS (high throughput screening) technique, the CoMFA (comparative molecular field analysis), CoMSIA (comparative molecular similarity indeces analysis) and molecular HQSAR (hologram quantitative structure-activity relationship) analysis techniques as methodology of computer assisted molecular design (CAMD) were introduced generally and summarized for some application cases.