• Proceedings of the Korean Society for Bioinformatics Conference
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• 2005.09a
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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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• v.30 no.4
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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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• v.22 no.1
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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.

• Korean Journal of Medicinal Crop Science
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• v.28 no.1
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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.

• Korean Journal of Fisheries and Aquatic Sciences
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• v.53 no.3
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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.

• Korean Journal of Food Science and Technology
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• v.37 no.3
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• pp.339-344
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• 2005

Volatile compounds, isolated from Elsholtzia splendens using simultaneous steam distillation extraction (SDE) and headspace solid phase microextraction (HS-SPME), were analyzed by gas chromatography/mass spectrometry(GC-MS). Twenty-nine compounds, comprising 3 aldehydes, 7 alcohols, 11 hydrocarbons, 5 ketones, and 3 miscellaneous ones, were tentatively identified from volatile compounds of Elsholtzia splendens flowers. From leaves, 30 compounds, comprising 3 aldehydes, 6 alcohols, 11 hydrocarbons, 6 ketones, and 11 miscellaneous ones, were tentatively identified. Volatile compounds extracted by HS-SPME in E. splendens flowers were 3 alcohols, 18 hydrocarbons, 3 ketones, and 2 miscellaneous ones. In leaves, 31 compounds, comprising 7 alcohols, 15 hydrocarbons, 7 ketones, and 2 miscellaneous ones, were tentatively identified. Major volatile compounds identified by SDE and HS-SPME were naginataketone and elsholtziaketone, which were identified as aroma-active compounds, representing characteristic aroma of E. splendens.

• Korean Journal of Medicinal Crop Science
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• v.28 no.4
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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.

• The Journal of Korean Medicine Ophthalmology and Otolaryngology and Dermatology
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• v.36 no.1
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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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• v.14 no.1
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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.

• Analytical Science and Technology
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• v.16 no.3
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• pp.240-248
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• 2003

Sulfur compounds which are well-known odor-active compounds in industrial area have very low detection threshold values. Trace amounts of volatile sulfur compounds in enviroment air around several odor sources were concentrated in liquid argon bath and determined by gas chromatograph with flame photometric detector (FPD) which exhibits very good selectivity and sensitivity. 25% ${\beta}$,${\beta}$-Oxydipropionitrile on 60/80 Chromosorb W was used as adsorbent for the preconcentration of sulfur compounds in air sample and also as packing material for a packed glass column. Concentration volume of air sample was different from place to place in the range of 0.1~3.0L. Atmospheric concentrations of sulfur compounds in air of residential districts and boundaries of business establishments, and also those in the exhausted gases of emission points such as a sewage disposal plant in industrial area were measured.