• Title/Summary/Keyword: Odorant

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The Search of Pig Pheromonal Ordorants for Biostimulation Control System Technology: IV. Comparative Molecular Similarity Indices Analyses (CoMSIA) on the Binding Affinities between Ligands of 2-(Cyclohexyloxy)-tetrahydrofurane Derivatives and Porcine Ordorant Binding Protein (생물학적 자극 통제 수단으로 활용하기 위한 돼지 페로몬성 냄새 물질의 탐색: IV. 2-(Cyclohexyloxy)tetrahydrofurane 유도체와 Porcine Odorant Binding Protein 사이의 결합 친화력에 관한 비교분자 유사성 지수분석(CoMSIA))

  • Sung, Nack-Do;Park, Chang-Sik;Jang, Seok-Chan;Choi, Kyung-Seob
    • Reproductive and Developmental Biology
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    • v.30 no.3
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    • pp.169-174
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    • 2006
  • To search of a new porcine pheromonal odorants, the comparative molecular similarity indices analysis(CoMSIA) between porcine odorant binding protein(pOBP) as receptor and ligands of green odorants 2-(Cyclohexyloxy)tetrahydrofurane derivatives as substrate molecule were conducted and disscused quantitatively. In the optimized CoMSIA model(I-AI) with chirality($I:\;C_{1'}(R),\;C_2(S)$) in substrate molecules and atom based fit alignment(AE) of the odorants the statistical PLS results showed the best predictability of the binding affinities based on the LOO cross-validated value ${r^2}_{cv.}\;(q^2=0.856)$ and non cross-validated conventional coefficient(${r^2}_{ncv.}=0.964)$). The structural distinctions of the highest active molecules were able to understand from the interaction between pOBP and green odorants in the contour maps with CoMSIA model.

Molecular Docking of Tetrahydrofuran-2-yl Analogues to Porcine Odorant Binding Proteins (pOBP & pPBP) and Binding Interactions (돼지 냄새물질 결합 단백질 (pOBP 및 pPBP)에 대한 Tetrahydrofuran-2-yl 유도체의 분자도킹과 결합 상호작용)

  • Cho, Yun-Gi;Park, Chang-Sik;Sung, Nack-Do
    • Reproductive and Developmental Biology
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    • v.34 no.1
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    • pp.7-13
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    • 2010
  • The binding affinity constants ($p(Od)_{50}$) and molecular docking scores (OS) between porcine odorant binding proteins pOBP (1HQP) and pPBP (1GM6) as receptor and a series of tetrahydrofuran-2-yl (A & B) analogues as substrate, and their interactions were discussed quantitatively using three-dimensional quantitative structure-activity relationship (30-QSAR) models. The statistical qualities of the optimized CoMF A models for pOBP were better than those of the CoMSIA models. The binding affinity constants and OS between substrate and receptor molecules were dependent upon steric and hydrophobic interaction. The DS constants of the substrates into the binding site of OBP (1HQP) were bigger than those of PBP (1GM6). The resulting contour maps produced by the optimized CoMFA model were used to identify the structural features relevant to the binding affinity in binding site of pOBP.

Health Effects of Small Volatile Compounds from East Asian Medicinal Mushrooms

  • Pennerman, Kayla K.;Yin, Guohua;Bennett, Joan Wennstrom
    • Mycobiology
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    • v.43 no.1
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    • pp.9-13
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    • 2015
  • Medicinal fungi, taken whole or as various forms of extracts, have been used to alleviate, cure or prevent human ailments since pre-historic times. In particular, Asian cultures have incorporated a variety of mushrooms into their medical practices. Chemically pure, bioactive metabolites from fungi have been a mainstay of modern pharmacological research and in addition to antibiotics, include anticancer agents, immunosuppressants, enzyme inhibitors, antagonist and agonists of hormones, and a variety of psychotropic substances. However, to date not many studies have focused on the possible health benefits of odorant volatile organic compounds (i.e., gas phase compounds). An analysis of these compounds for their health related effects will expand the range of compounds available for the treatment of chronic and acute diseases. This review highlights phenolic acids and monoterpenes from Asian medicinal mushrooms (AMMs), which not only produce pleasant odors but also have antioxidant and antibacterial effects. Odorant bioactive volatile phase compounds from medicinal mushrooms remain an essentially untapped source for future medicines, and AMMs remain a promising resource for future pharmacological research.

Determination of the Volatile Flavor Compounds for the Quality Characteristics in Traditional Alcoholic Beverages (전통주의 품질 특성 규명을 위한 향기 성분 분석)

  • Ahn, Yun-Gyong;Song, Yeong-Sun;Shin, Jeoung-Hwa
    • The Korean Journal of Community Living Science
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    • v.23 no.2
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    • pp.199-206
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    • 2012
  • In order to evaluate the aroma compounds in Korean traditional alcoholic beverages, volatile compounds of the commercial wines, Makgeolli were analyzed and quantified using the conventional method. Eight volatile compounds including three kinds of alcohols, two kinds of organic acids and three kinds of ether were extracted by Liquid-Liquid Extraction with Dichloromethane. For the separation and quantification, Gas chromatography coupled with mass spectrometry (GC/MS) was used to analyze these compounds. Also, the separation efficiency of these compounds was performed and compared with GC column. The results of this study were as follows ; Eight kinds of volatile compounds were separated well on the HP-88 column better than on the DB-5MS column. Short chain fatty acids, butyric acid and isovaleric acid were not detected in two brands of makgeolli samples. The higher alcohols were detected in the range of 0.86~225.68 ${\mu}g/mL$ and ethyl esters were detected in the range of 0.86~225.68 ${\mu}g/mL$, respectively. There compounds are known to be associated with sensory and odorant.

Characterization of Odorant Compounds from Mechanical Aerated Pile Composting and Static Aerated Pile Composting

  • Kumari, Priyanka;Lee, Joonhee;Choi, Hong-Lim
    • Asian-Australasian Journal of Animal Sciences
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    • v.29 no.4
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    • pp.594-598
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    • 2016
  • We studied airborne contaminants (airborne particulates and odorous compounds) emitted from compost facilities in South Korea. There are primarily two different types of composting systems operating in Korean farms, namely mechanical aerated pile composting (MAPC) and aerated static pile composting (SAPC). In this study, we analyzed various particulate matters (PM10, PM7, PM2.5, PM1, and total suspended particles), volatile organic compounds and ammonia, and correlated these airborne contaminants with microclimatic parameters, i.e., temperature and relative humidity. Most of the analyzed airborne particulates (PM7, PM2.5, and PM1) were detected in high concentration at SAPC facilities compered to MAPC; however these differences were statistically non-significant. Similarly, most of the odorants did not vary significantly between MAPC and SAPC facilities, except for dimethyl sulfide (DMS) and skatole. DMS concentrations were significantly higher in MAPC facilities, whereas skatole concentrations were significantly higher in SAPC facilities. The microclimate variables also did not vary significantly between MAPC and SAPC facilities, and did not correlate significantly with most of the airborne particles and odorous compounds, suggesting that microclimate variables did not influence their emission from compost facilities. These findings provide insight into the airborne contaminants that are emitted from compost facilities and the two different types of composting agitation systems.

Autonomic Responses to Odorant Stimulation during Slow and Fast Vehicular Driving in Graphic Simulator (화상 시뮬레이터에서 저속과 고속 운전 중 향에 따른 자율 신경계 반응)

  • 민병찬;김유나;정순철;김수진;민병운;김철중;신미경
    • Science of Emotion and Sensibility
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    • v.3 no.1
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    • pp.7-16
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    • 2000
  • 본 연구에서는 화상 시뮬레이터 상에서 저속 (40km/h) 주행과 고속 (160km/h) 주행으로 지루감 및 긴장감을 유발시킨 후, 100%의 Jasmine abs와 Lavender oil france (KIMEX Co. Ltd)의 향 자극이 지루함 및 긴장감의 증감에 미치는 영향을 알아보고자 한다. 건강과 피험자 10명을 대상으로 심전도, 피부온도, 맥파의 자율신경계 반응을 측정하였다. 또한 각 실험 전후에 Simulator Sickness를 측정하여 Simulator Sickness가 실험 결과에 미치는 영향을 분석하였다. 지루한 저속 주행 시 향자극이 없을 때에 비해 각 향을 제시하였을 때 각성 효과가 발생하여 교감 신경계가 활성화됨을 자율신경계 반응으로 관찰할 수 있었다. 그러나 두 가지 향에 따라 큰 차이는 발생하지 않았다. 본 연구로부터 일정하고 느린 주행으로 유발되는 신체의 이완 현상 또는 졸리움 현상이 향 자극에 의해 감소되는 경향을 자율 신경계의 반응을 통해 관찰할 수 있었다. 고속 주행 시에는 향을 제시하지 않았을 때보다 두 가지 향을 제시하였을 때 긴장감이 모두 이완되는 경향을 나타내었다. 따라서 고속 주행으로 유발되는 신체의 긴장감이 향 자극으로 인해 감소된다는 사실을 자율신경계의 반응을 통해 관찰할 수 있었다. 그러므로 본 연구로부터 지루한 저속 주행으로 유발된 신체의 이완감과 고속 주행으로 유발된 신체의 긴장감은 각 향 자극에 의해 이완감의 감소와 긴장감의 감소를 유발하였다는 사실을 관찰할 수 있었고, 두 향의 차이는 관찰할 수 없었다.

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In Silico Analysis and Molecular Docking Comparison of Mosquito Oviposition Pheromone and Beta-asarone on the Mosquito Odorant Binding Protein-1 (In Silico 분자결합 분석방법을 활용한 MOP와 베타아사론의 열대집모기 후각단백질 활성 부위에 대한 결합 친화도 비교 분석)

  • Kim, Dong-Chan
    • Journal of Life Science
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    • v.28 no.2
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    • pp.195-200
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    • 2018
  • Beta-asarone is the well-known active ingredient of Rhizoma acori graminei. In this study, we investigated and compared the binding affinity of mosquito oviposition pheromone (MOP; (5R,6S)-6-acetoxy-5-hexadecanolide) and beta-asarone on the A domain of the mosquito odorant binding protein 1 (CquiOBP1) by in silico computational docking studies. The three-dimensional crystallographic structure of CquiOBP1 was obtained from the PDB database (PDB ID: 3OGN). In silico computational auto-docking analysis was performed using PyRx, Autodock Vina, Discovery Studio Version 4.5, and the NX-QuickPharm option based on scoring functions. The beta-asarone showed optimum binding affinity (docking energy) with CquiOBP1 as -6.40 kcal/mol as compared to the MOP (-6.00 kcal/mol). Among the interacting amino acids (LEU76, LEU80, ALA88, MET89, HIS111, TRP114, and TYR122), tryptophan 114 in the CquiOBP1 active site significantly interacted with both MOP and beta-asarone. Amino acids substitution (mutation) from non-polar groups to the polar (or charged) groups of the CquiOBP1 dramatically changed the X, Y, Z grid position and binding affinity of both ligands. These results significantly indicated that beta-asarone could be a more potent ligand to the CquiOBP1 than MOP. Therefore, the extract of Rhizoma acori graminei or beta-asarone can be applied to the fields of insecticidal and repellant biomaterial development.