• 한국생물정보학회:학술대회논문집
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• 한국생물정보시스템생물학회 2005년도 BIOINFO 2005
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• pp.134-138
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• 2005

The design of ion channel targeted library is a valuable methodology that can aid in the selection and prioritization of potential ion channel-likeness for ion-channel-targeted bio-screening from large commercial available chemical pool. The differences of property profiling between the 93 ion-channel active compounds from MDDR and CMC database and the ACDSC compounds were classified by suitable descriptors calculated with preADME software. Through the PCA, clustering, and similarity analysis, the compounds capable of ion channel activity were defined in ACDSC compounds pool. The designed library showed a tendency to follow the property profile of ion-channel active compounds and can be implemented with great time and economical efficiencies of ligand-based drug design or virtual high throughput screening from an enormous small molecule space.

• Mycobiology
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• 제30권4호
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• pp.233-239
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• 2002

The main aim of this study is to evaluate the efficiency of two biologically active compounds(Strom and F-760) in control of wheat root rot disease and its causal organisms. Fusarium graminearum, F. oxysporum, F. solani and Bipolaris sorokiniana were used as target organisms. In vitro, the two compounds showed fungicidal effect on all investigated pathogens resulted in suppression of radial growth and mycelial dry weight of them. Under greenhouse conditions, treatment of wheat grains with either Strom or F-760 before cultivation significantly reduced the percent of disease distribution as well as the mean disease rating of plants in both seedling and flowering stages. Fresh and dry weights of plants as well as water maintenance capacity were increased as the result of applying these compounds as seed dressing. Also data showed that the membrane stability of plants was injured as a result of infection with all investigated organisms, while this injury was alleviated when F-760 and Strom were applied. The $K^+$ efflux and the leakage of UV absorbing metabolites was stimulated with fungal infection. However, F-760 and Storm treatment partially retarded the stimulatory effect on leakage of $K^+$ and UV-absorbing metabolites of fungal infected plants. On the other side, the fungal infection had inhibitory effects on pigment fractions(chlorophyll a, b, and carotenoids) biosynthesis in wheat leaves. This retarding effect was partially or completely alleviated as the grains were treated with the applied compounds.

• Natural Product Sciences
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• 제22권1호
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• pp.64-69
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• 2016

A method for simultaneously identifying antioxidative compounds was developed using time-based LC-MS coupled with DPPH assay regardless of the time consuming process. The methanolic extract of Polygonum aviculare (Polygonaceae) showed significant DPPH radical scavenging activity. Time-based DPPH assay for simultaneous identification of active compounds from the extracts of P. aviculare was used. Major peaks of ethyl acetate fraction of P. aviculare showed high DPPH radical scavenging activity. A simple phenolic compound (1) and six flavonoids (2-7) were isolated from the ethyl acetate fraction of P. aviculare by silica gel and sephadex LH-20 column chromatography. The structures of seven compounds were determined to be protocatechuic acid (1), catechin (2), myricitrin (3), epicatechin-3-O-gallate (4), avicularin (5), quercitrin (6), and juglanin (7) based on the analysis of the $^1H$-NMR, $^{13}C$-NMR and ESI-MS data. All compounds exhibited significant antioxidant activity on DPPH assay and active compounds were well correlated with predicted one.

• 한국약용작물학회지
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• 제28권1호
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• pp.29-37
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• 2020

Background: Although Gastrodia elata contains the valuable, bio-active compounds gastrodin and 4-hydroxybenzyl alcohol (4-HBA), it also contain ρ-cresol, which is a major source of an objectionable pig slurry-like odor. Accordingly, this study was performed to determine the deodorization effect of Diaion HP-20 resin on a G. elata extract. Methods and Results: Using Diaion HP-20 with an increasing concentration of ethanol, an extract of G. elata was fractionated into 15 fractions, which were anlayzed to determine their concentrations of active compounds and ρ-cresol. The gastrodin, 4-HBA, total phenolics, and ρ-cresol concentrations of the G. elata extract were 403.13, 408.15, 2,476.09, and 11.77 ㎍/㎖, respectively. Among the different fractions, gastrodin and 4-HBA were detected in fractions 3 to- 6, and 4 to- 10, respectively whereas total phenolics were detected in all samples, with fractions 5 to- 7 being characterized by higher concentrations than were the other fractions. ρ-Cresol was detected in fractions 12 to- 15, at concentrations ranging from 0.39 ㎍/㎖ to 6.05 ㎍/㎖ with the highest concentration detected in fraction 14. The fractions containing ρ-cresol could be selectively separated from the G. elata extract without the loss of major bio-active compounds such as gastrodin and 4-HBA. Conclusions: The results of this study indicate that a deodorizing method using Diaion HP-20 resin can be considered for improving the sensory qualities of G. elata extract without a loss of the major bio-active compounds.

• 한국수산과학회지
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• 제53권3호
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• pp.259-272
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• 2020

Nowadays, two types, Yumhae and Sikhae methods, remained as traditional seafood fermentation methods in Korea. In this study, flavor compounds in two types of salt-fermented fishes made by Yumhae method such as anchovy Engraulidae sp., shrimp Caridea sp., squid Decapodiformes sp., big eyed herring Clupea sp., gizzard shad Dorosoma sp. and hairtail Trichiurus sp., and made by Sikhae method such as Alaska pollack Gadus Chalcogrammus and squid. Volatile compounds detected in all salt-fermented fishes were composed mainly of aldehydes (45), ketones (39), alcohols (45), acids (12), esters (47), N-containing compounds (43), aromatic hydrocarbons (37), S-containing compounds (26), furans (10), and miscellaneous compounds (40) in salt-fermented fishes made by Yumhae method. Meanwhile, alcohols (47), terpenes (38), S-containing compounds (22), carbonyl compounds (19 aldehydes, 18 ketones), esters (13), and acids (14). Aroma-active compounds were identified by Gas chromatography/mass spectrometry/olfactometry and aroma extract dilution analysis in salt-fermented anchovy, shrimp and tuna (Thunnini sp.) sauce. Ethyl 2-methylbutanoate (candy/sweet) and 2-ethyl-3,5-dimethylpyrazine (nutty/baked potato-like) were predominant odorants in salt-fermented anchovy, whereas dimethyl trisulfide (cooked cabbage/soy sauce-like), 2-ethyl-3,5-dimethylpyrazine, and (E,E)-2,4-heptadienal (fatty/grainy) in salt-fermented shrimp, and dimethyl trisulfide, 3-methylbutanal (dark chocolate-like), and 3-methylthiopropanal (baked potato-like) in tuna sauce.

• 한국식품과학회지
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• 제37권3호
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• pp.339-344
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• 2005

본 연구에서는 독특한 방향을 지닌 식용 및 약용식물인 꽃향유의 휘발성 향기성분을 SDE 및 HS-SPME법에 의해 추출한 후, GC-MSD를 이용하여 분석 동정하였으며, GC-O에 의하여 꽃향유의 aroma-active compounds를 확인하였다. SDE법에 의해 꽃에서는 aldehydes 3종, alcohols 7종, hydro-carbons 11종, ketones 5종 및 기타 3종의 총 29종이 확인되었고, 잎에서는 aldehydes 3종, alcohols 6종, hydrocarbons 11종, ketones 6종 및 기타 4종의 총 30종이 확인되었다. PDMS fiber를 사용한 HS-SPUE법에 의해 꽃과 잎에서는 aldehyde가 검출 되지 않았으며 alcohols 3종, hydrocarbons 18종, ketones 3종 및 기타 2종의 총 26종이 확인되었고, 잎에서는 alcohols 7종, hydrocarbons 15종, ketones 7종 및 기타 2종의 총 31종이 확인되었다. 꽃향유의 주요 향기성분으로 알려진 elsholtziaketone과 naginataketone은 SDE법과 HS-SPME법 모두에서 확인되었으며 꽃과 잎 부위에서 상대적으로 많은 양이 나타났다. 꽃향유 향기분석에서 SDE 및 PDMS fiber를 이용한 HS-SPME방법의 주요한 차이는 비극성인 SPME fiber에서 비교적 극성 물질인 aldehyde류가 확인되지 않았다는 점이다. 또한 GC-O 분석을 통하여 elsholtziaketone과 naginataketone이 강렬한 운향(rue-like)을 지니며, 톡 쏘는 듯한 향신료의 향을 갖는 것으로 확인되었다. 따라서 elsholtziaketone과 naginataketone이 꽃향유 특유의 향 발현에 기여하는 것으로 판단된다.

• 한국약용작물학회지
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• 제28권4호
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• pp.245-253
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• 2020

Background: Research on hot water extracts of medicinal plants that are easily applicable in the clinical setting is essential. To confirm the anti-inflammatory-related active compounds present in the hot water extract of Eriobotrya japonica leaves, ability to inhibit nitric oxide (NO) production was measured and active compounds isolated from the extract were analyzed. Methods and Results: Sovent fractionation by solvent was performed to identify the active compounds present in the hot water extract, and the ability of the extract and the fractions obtained to inhibit NO production was measured. Subsequently, based on the results of liquid chromatography (LC) profile analysis of the n-butanol fraction that had a relatively high inhibitory ability of NO production, six subfractions were separated around the main peak. Among the separated subfractions spectra from mass spectroscopy (MS) were analyzed and standard comparisons were performed on the compounds of the three main peaks on the chromatogram. NO production inhibitory activity of subfraction 2 identified as neochlorogenic acid was the highest with an IC₅₀ of 18.49 ㎍/㎖ followed by that of subfraction 5 identified as cryptochlorogenic acid with IC₅₀ of 25.82 ㎍/㎖. Conclusions: Our result, it was confirmed that several caffeoylquinic acids, including neochlorogenic acid and cryptochlorogenic acid present in the hot water extract of E. japonica leaves have an important role as compounds exhibiting anti-inflammatory activity.

• 한방안이비인후피부과학회지
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• 제36권1호
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• pp.50-63
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• 2023

Objectives : This study used a network pharmacology approach to explore the active compounds and therapeutic mechanisms of Yijin-tang on Meniere's disease. Methods : The active compounds of Yijin-tang were screened via the TCMSP database and their target proteins were screened via the STITCH database. The GeneCard was used to establish the Meniere's disease-related genes. The intersection targets were obtained through Venny 2.1.0. The related protein interaction network was constructed with the STRING database, and topology analysis was performed through CytoNCA. GO biological function analysis and KEGG enrichment analysis for core targets were performed through the ClueGO. Results : Network analysis identified 126 compounds in five herbal medicines of Yijin-tang. Among them, 15 compounds(naringenin, beta-sitosterol, stigmasterol, baicalein, baicalin, calycosin, dihydrocapsaicin, formononetin, glabridin, isorhamnetin, kaempferol, mairin, quercetin, sitosterol, nobiletin) were the key chemicals. The target proteins were 119, and 7 proteins(TNF, CASP9, PARP1, CCL2, CFTR, NOS2, NOS1) were linked to Meniere's disease-related genes. Core genes in this network were TNF, CASP9, and NOS2. GO/KEGG pathway analysis results indicate that these targets are primarily involved in regulating biological processes, such as excitotoxicity, oxidative stress, and apoptosis. Conclusion : Pharmacological network analysis can help to explain the applicability of Yijin-tang on Meniere's disease.

• Natural Product Sciences
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• 제14권1호
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• pp.62-67
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• 2008

The leaf extract of Ligularia stenocephala showed the highest anti-platelet aggregating activity in large numbers of edible and herbal plants. The active fraction fractionationed from L. stenocephala extract by using preparative HPLC inhibited the platelet aggregation up to above 80% and its blood coagulating time (PT and APTT) also showed similar effect to aspirin (0.2 ${\mu}g/mL$), known as an anti-thrombus compound. Two antithrombus active compounds were purified and identified as 3,5-dicaffeoylquinic acid and 3,4-dicaffeoylquinic acid, respectively, on the basis of NMR and FAB-MS spectroscopic data. Two active compounds has not only antiplatelet aggregating activity, but also has anticoagulating activity.

• 분석과학
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• 제16권3호
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• pp.240-248
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• 2003

공업지역에서 악취원인물질로 잘 알려진 황화물은 매우 낮은 최소 후각감지농도를 나타낸다. 여러 악취발생원 주변의 대기 중 미량의 황화합물을 아르곤에서 농축시켜 선택성과 감도가 우수한 불꽃 광도 검출기 (FPD)가 장착된 가스크로마토그래프를 이용하여 측정하였다. 25% ${\beta}$,${\beta}$-Oxydipropionitrile, 60/80 Chromosob W가 저온농축을 위한 흡착제로 되었으며 이를 충전 유리컬럼의 충전제로도 사용하였다. 악취시료의 농축량은 0.1~3.0L 범위에서 채취장소에 따라 달리하였다. 주거지역과 사업장 부지경계선상에서의 공기 및 하수처리장과 같은 공업지역 내 사업장의 배출구 가스 중의 휘발성 황화합물의 농도를 측정하였다.