• Title/Summary/Keyword: 활성모델

Search Result 1,112, Processing Time 0.031 seconds

Molecular Holographic Quantitative Structure-Activity Relationship (HQSAR) for the Fungicidal Activities of New Novel 2-Alkoxyphenyl-3-phenylthioisoindoline-1-one Derivatives (새로운 2-Alkoxyphenyl-3-phenylthioisoindoline-1-one 유도체들의 살균활성에 관한 분자 홀로그래피적인 정량적 구조와 활성과의 관계)

  • Sung, Nack-Do;Yoon, Tae-Yong;Jung, Hoon-Sung
    • The Korean Journal of Pesticide Science
    • /
    • v.9 no.2
    • /
    • pp.146-152
    • /
    • 2005
  • The fungicidal activities against resistance phytophthora blight (RPC; 95CC7303) and sensitive phytophthora blight (Phytopthora capsici) (SPC; 95CC7105) by new 2-alkoxyphenyl-3-phenylthioisoindoline-1-one derivatives (A & B) were studied using molecular holographic quantitative structure activity relationships (HQSAR) methodology. Based on the results, the statistical results of the two best HQSAR models, RI-B for RPC and SII-A for SPC exhibited the best predictability and fitness for the fungicidal activities based on the cross-validated value ($q^2=0.806{\sim}0.865$) and non cross-validated value ($r^2_{ncv.}=0.921{\sim}0.952$, respectively. The quality of the model for SPC was slightly than that of RPC. From the based graphical analyses of atomic contribution maps, it was confirmed that the novel selective character for fungicidal activities against RPC depends upon the 2-fluoro-4-chloro-5-alkoxyanilino group.

신물질의 간독성 평가방법 개발 및 기작에 관한 연구

  • 차영남
    • Proceedings of the Korean Society of Applied Pharmacology
    • /
    • 1993.04a
    • /
    • pp.97-97
    • /
    • 1993
  • 본 연구과제에서는 적출판류간실험법 (isolated perfused liver technique)을 약물의 간독성 유발 및 보간작용에 관한 실험법으로 개발하고자 butylated hydroxyanisole (BHA) 을 이용하여 보간실험을 하였다. BHA를 식이투여한 흰쥐로부터 적출한 간에 간독성 모델물질로 2,6-dichlorophenolindophenol (DCPIP) 을 관류시켜 관류액내의 DCPIP의 유리형, 환원형, glucuronide, sulfate 포합체의 대사체를 측정하여 DCPIP 외 대사양상을 관찰하였으며, 동시에 간세포 손상으로 관류액내로 유출된 lactate dehydrogenase (LDH)의 활성도를 측정하여 DCPIP예 의할 간세포독성 유발정도를 간접적으로 측정하여 대조군과 비교하였다. 그리고 BHA에 의한 보간작용이 약물대사효소의 변와에 기인한 것인가를 관찰하기 위하여 모델약물로 7-ethoxycoumarin (EC) 이나 EC의 phase I 대사산물인 7-hydroxycoumarin (HC) 을 관류시켜 관류액내의 HC의 유리체, glucuronide 포합체, sulfate 포합체로의 대사량을 측정하여 약물대사시 약물의 활성화에 관계하는 phase I mixed function oxidase (MFO) 효소와 약물의 해독화에 관계하는 phase II 포합효소 (UDP-glucuronyltranesferase(UDPGT)와 sulfotransferase (ST))의 활성도 변화를 측정하여 대조군과 비교하였다. 간독성 모델물질인 DCPIP를 적출한 흰쥐의 간에 관규시켰을때 BHA 전처리군이 LDH가 유출되기 시작하는 시간이 대조군에 비하여 유의적으로 늦었으며, LCH가 유출량도 유의적으로 감소되어 DCPIP에 의한 간독성 유발능력이 BHA에 의하여 감소됨을 관찰하였다. 아울러 DCPIP의 대사체중 환원체와 glucuronide 포합체의 생성량이 증가되어 BHA에 의하여 quinone reductase와 UDPGT 활성도가 증가되었음을 알 수 있었다. 그리고 BHA 전처리에 의하여 MFO효소계와 ST의 활성도에는 변화가 없었으나 UDOGT 의 활성도는 약 2.2배 증가되었다. 이상의 결과로 BHA에 의한 보간작용은 간독성 물질을 활성화시키는 phase I MFO 효소의 활성도에는 변화없이 해독작용에 관여하는 phase II효소들의 활성도 증가에 기인된 것을 알 수 있었다. 그리고 이러한 결과는 적출한 관류간실험법은 여러 약물의 보간효과를 관찰하는 실험법으로 적합할 것으로 사료되었다.

  • PDF

활성탄소섬유에서의 DMMP 흡착특성

  • Kim, Byeong-Seop;Yu, Seung-Gon;Choe, Seong-Yeol
    • Defense and Technology
    • /
    • no.2 s.276
    • /
    • pp.58-65
    • /
    • 2002
  • 이 글은 최근에 개발되어 큰 관심을 모으고 있는 흡착성능이 대단히 우수하고 가벼운 활성탄소섬유(ACF 혹은 섬유상 활성탄소)에 유기인 화합물 신경작용제의 모델가스인 DMMP를 통과시켜 흡착 파과곡선을 측정하고 방독면과 보호와의 핵심소재인 첨착활성탄소(ASC-AC)와 제거능력을 비교하면서, ACF가 현재 사용되고 있는 독성가스 제거용 첨착활성탄소를 대체할 수 있는 가능성을 보고자 하였다.

  • PDF

활성탄에 의한 염소가스의 흡착특성

  • 이재의;윤세훈;김동현;김준형;오원진
    • Proceedings of the Korean Nuclear Society Conference
    • /
    • 1998.05b
    • /
    • pp.397-402
    • /
    • 1998
  • 염소가스의 활성탄 흡착성능을 흡착평형과 flow system 두 단계의 흡착실험을 통하여 측정하였다. 활성탄은 surface area와 pore size distribution이 구별되는 세가지 이상의 시료를 선정하였고 활성탄의 표면특성에 따른 염소가스의 흡착관계를 검토하였다. Flow system에서는 염소가스를 500ppm의 농도(v/v in helium) 를 가지는 염소가스를 선택하였고 GC로 흡착경향을 분석하였다. 주어진 흡착탑(long bed)에서 흡착용량의 증가변화에 대한 흡착속도의 감소변화의 추이를 관찰하였으며 이로부터 염소가스 단일성분의 활성탄 흡착탑에 대한 흡착모델의 설계가 가능함을 알 수 있었다.

  • PDF

3D-QSAR on the Herbicidal Activities of New 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide Derivatives (새로운 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide 유도체들의 제초활성에 관한 3차원적인 정량적 구조와 활성과의 관계)

  • Sung, Nack-Do;Jung, Hoon-Sung
    • Applied Biological Chemistry
    • /
    • v.48 no.3
    • /
    • pp.252-257
    • /
    • 2005
  • Three-dimensional quantitative structure-activity relationships (3D-QSARs) for the herbicidal activities against pre-emergence barnyard grass (Echinochloa crus-galli) by new 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropion amide derivatives were studied quantitatively using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methodologies. The best CoMFA model (AI-2) and CoMSIA model (AII-4) were derived from an atom based fit alignment and a combination of CoMFA fields. The herbicidal activities from CoMFA and CoMSIA contour maps showed that the activity will be able to be increased according to the substituents variation on the N-phenyl ring.

Prediction of Compressive Strength of Fly Ash Concrete by a New Apparent Activation Energy Function (새로운 겉보기 활성에너지 함수에 의한 플라이애시 콘크리트의 압축강도 예측)

  • 한상훈;김진근;박연동
    • Journal of the Korea Concrete Institute
    • /
    • v.13 no.3
    • /
    • pp.237-243
    • /
    • 2001
  • The prediction model is proposed to estimate the variation of compressive strength of fly ash concrete with aging. After analyzing the experimental result with the model, the regression results are presented according to fly ash replacement content and water-cement ratio. Based on the regression results, the influence of fly ash replacement content and water-cement ratio on apparent activation energy was investigated. According to the analysis, the model provides a good estimate of compressive strength development of fly ash concrete with aging. As the fly ash replacement content increases, the limiting relative compressive strength and initial apparent activation energy become greater. The concrete with water-cement ratio smaller than 0.40 shows that the limiting relative compressive strength and apparent activation energy are nearly constant according to water-cement ratio. But, the concrete with water-cement ratio greater than 0.40 has the increasing limiting relative compressive strength and apparent activation energy with increasing water-cement ratio.

CoMFA and CoMSIA Analysis on the Selective Fungicidal Activity of N-phenyl-D-phenylthionocarbamate Analogues against Resistant and Sensitive Gray Mold (Botrytis cinerea) (저항성 및 감수성 잿빛곰팡이병균(Botrytis cinerea)에 대한 N-Phenyl-O-phenylthionocarbamate 유도체들의 선택적인 살균활성에 관한 CoMFA 및 CoMSIA 분석)

  • Soung, Min-Gyu;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
    • /
    • v.11 no.3
    • /
    • pp.138-143
    • /
    • 2007
  • The relationships between three dimensional quantitative structure and activity relationships (3D-QSARs) for the selective fungicidal function between N-phenyl substituents of N-phenyl-O-phenyl-thionocarbamate derivatives analogues and their the fungicidal activities against resistant (RBC) and sensitive (SBC) gray mold (Botrytis cinerea) were studied quantitatively using CoMFA and CoMSIA methods. The statistical values of optimized CoMSIA (M7) model were better ($r^2$ & $q^2=CoMSIA{\gg}CoMFA$) than that of CoMFA (M5) model. And the factor influencing of the selective between the fungicidal activity against RBC and SBC was dependent on electrostatic field of CoMFA (M5) model. Therefore, it is predicted that, from the CoMSIA contour maps of CoMSIA (M7) model, the selectivity will be improved by the H-bond donor that is with negatively charged favored group at meta-position on the N-phenyl ring.

Antioxidant Activities in the Lung of Murine Hermansky-Pudlak Syndrome (HPS) Model: Effect of Ionizing Radiation (Hermansky-Pudlak Syndrome (HPS) 생쥐 모델의 폐 항산화계 활성: 방사선의 영향)

  • Shin, Ho-Sang;Yang, Woo-Jung;Choi, Eun-Mi
    • Environmental Analysis Health and Toxicology
    • /
    • v.22 no.1 s.56
    • /
    • pp.9-17
    • /
    • 2007
  • Hermansky-Pudlak Syndrome (HPS) 환자에서 조기에 발생되는 폐섬유화의 원인을 알아보고자, 생쥐 HPS 모델인 ep/ep,pe/pe 돌연변이종의 폐 항산화계의 환성과 방사선에 대한 반응을 측정하였다. HPS 폐에서는 대조군에 비해 glutathione이 더 산화되어 있었고, catalase, glutathione S-transferase(GST) 등의 항산화효소의 활성이 저하되어 있었으며, 10 Gy의 방사선을 조사하였을 때, glutathione 양이 감소하였고, 대조군 폐에서 보여지는 방사선에 의한 ${\gamma}$-glutamylcysteine ligase(GCL), glutathione peroxidase(GPx) 활성의 유의성 있는 증가가 관찰되지 않았다. 이 결과로부터 HPS 환자의 폐는 항산화계 활성이 저하되어 있을 뿐 아니라, 산화적 스트레스가 가해 졌을 때 적응 반응이 매우 취약하여 산화적 환경에 노출된 폐의 병증을 유발할 수 있음을 추측할 수 있다.

A Lattice Model for Intra-molecular and Inter-molecular Association in Mixture containing Surfactants (계면활성제를 함유한 혼합물에서 내외부 분자회합을 위한 격자모델)

  • Shin, Moon-Sam
    • Journal of the Korea Academia-Industrial cooperation Society
    • /
    • v.11 no.5
    • /
    • pp.1768-1772
    • /
    • 2010
  • Intra-molecular association is an important contribution to the overall hydrogen bonding in surfactant systems, especially in systems of colloidal and biological interest. Amphiphile systems, especially micelle and microemulsion systems, showed highly non-ideal behavior due to the intermolecular association and intra-molecular association. The objective of this research is to present a lattice fluid equation of state that combines the quasi-chemical nonrandom lattice fluid model with modified Veytsman statistics for intra + inter molecular association to calculate phase behavior for mixture containing surfactant systems. The lattice model could describe the literature data well for alkane and surfactant systems.

Immunomodulatory Effects of Polysaccharides Derived from Persimmon Leaves on Cyclophosphamide-induced Immunosuppressed Mice (감잎 유래 다당체가 면역억제 마우스의 면역조절에 미치는 영향)

  • Cho, Chang-Won;Rhee, Young Kyoung;Kim, Young-Chan;Han, Chun-Ji;Shin, Kwang-Soon;Hong, Hee-Do
    • Korean Journal of Food Science and Technology
    • /
    • v.45 no.5
    • /
    • pp.636-641
    • /
    • 2013
  • We prepared 2 different crude polysaccharides from persimmon leaves, by hot water (PLW-0) and pectinase digestion (PLE-0), respectively. PLW-0 and PLE-0 showed similar sugar compositions and contained 11 different sugars, including rarely observed sugars such as 2-methyl-fucose, 2-methyl-xylose, apiose, and aceric acid. However, the uronic acid content of PLE-0 was lower than that of PLW-0, because of pectinase treatment. In normal mice, administration of PLW-0 and PLE-0 increased the spleen index and splenocyte proliferation. The effect of PLE-0 on the spleen index and splenocyte proliferation was greater than that of PLW-0. We subsequently assessed the immunomodulatory activities of PLW-0 and PLE-0 on cyclophosphamide (CY)-induced immunosuppressed mice. We revealed that mice treated with PLW- 0 or PLE-0 showed increased splenocyte proliferation, NK cell activity, and white blood cell numbers. Taken together, our results indicate that PLW-0 and PLE-0 can enhance immune function in normal mice and modulate CY-induced immune suppression.