• The Korea Journal of Herbology
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• v.33 no.5
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• pp.19-37
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• 2018

Objectives : Oryeong-san was composed of Alismatis Rhizoma, Atractylodis Rhizoma Alba, Poria Sclerotium, Polyporus, Cinnamomi Cortex, and known to have hundreds of chemical compounds. The aim of this study was to screen chemical compounds constituting Oryeong-san with the drug-likeness and oral bioavailability from the analysis of their physicochemical properties. Methods : A list of chemical compounds of Oryeong-san was obtained from TM-MC(database of medicinal materials and chemical compounds in Northeast Asian traditional medicine). To remove redundant compounds, the SMILES (Simplified Molecular Input Line Entry System) strings of each compound were identified. All of the physicochemical properties for the compounds were calculated using the DruLiTo(Drug Likeness Tool). Drug-likeness was estimated by QED(Quantitative Estimate of Druglikeness) and OB(Oral bioavailability) was checked based on the Veber's rules. Results : A total of 475 compounds were obtained by eliminating duplication among 544 compounds of 5 medicinal materials. Analysis of the physicochemical properties revealed that the most common values were MW(molecular weight) 200~300 g/mol, ALOGP(octanol-water partition coefficient) 1~2, HBA(number of hydrogen bond acceptors) 0~1, HBD(number of hydrogen bond donors) 0, PSA(polar surface area) 0~50 angstrom, ROTB(number of rotatable bonds) 1, AROM(number of aromatic rings) 0, and ALERT(number of structural alerts) 1. QED had 93% of the values between 0.2 and 0.7, and OB had 90% of the value of TRUE. Conclusions : We in this paper screened the candidate active compounds of Oryeong-san using the QED and Veber's rules. In the future, we will use the screening results to analyze the mechanism of Oryeong-san based on systems pharmacology.

• Herbal Formula Science
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• v.31 no.4
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• pp.245-252
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• 2023

Objectives : The purpose of this study was to explore the compounds, targets and related diseases of garlic by the approaches of network pharmacology and bioinformatics in traditional chinese medicine. Methods : We investigated components and their target molecules of garlic using SymMap and TCMSP and they were compared with analysis platform. Results : 56 potential compounds were identified in garlic, 26 of which contained target information, and it was found that these 26 compounds and 154 targets interact with each other through a combination of 243 compounds. In addition, Apigenin was linked to the most targeted gene (78) in 26 compounds, followed by Kaempferol (61 genes), Nicotic Acid (14 genes), Geraniol (11 genes), Eee (10 genes), and Sobrol A (9 genes). Among 56 potential compounds, three compounds (Kaempferol, Dipterocarpol, and N-Methyl cytisine) corresponded to the active compound by screening criterion Absorption, Distribution, Metabolism, Excretion (ADME). In addition, 12 compounds in 56 potential compounds were associated with gastrointestinal (GI) motility disorder. Among them, Kaempferol was a compound that met the ADME parameters and the rest were potential compounds that did not meet. Also, Kaempferol was closely related to GI motility disorder, indicating that this Kaempferol could be a candidate for potential medical efficacy. Conclusions : It shows the relationship between the compound of garlic, an herbal supplement, and the biological process associated with GI motility disorder. These results are thought to help develop strategies for treating GI motility disorders.

• Journal of the Korean Society of Food Science and Nutrition
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• v.26 no.2
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• pp.222-228
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• 1997

Toha-jeot, a traditional salt-fermented seafood in Korea, was purchased on the market in order to analyze the flavor compounds. Volatile flavor compounds in unfermented and fermented Toha-jeot were compared by vacuum simultaneous steam distillation-solvent extraction/gas chromatography/mass spectrometry. A total of 104 volatile flavor compounds were detected in both samples. Of these, 66 were positively identified, composed of aldehydes(14), ketones(8), alcohols(30), terpenes(20), sulfur-containing compounds(10), aromatic compounds (6), esters(12) and miscellaneous compounds(8). Levels of several other compounds such as aldehydes, terpenes, sulfur-containing compounds and esters decreased with fermentation time, whereas alcohols, ketone and aromatic compounds increased. Particularly, levels of alcohols in fermented Toha-jeot was 21 times higher than those of unfermented one. Major volatile flavor compounds in both samples were composed of terpenes, sulfur-containing compounds, esters and ethanol.

• Journal of the Korean Society of Food Science and Nutrition
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• v.33 no.10
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• pp.1689-1697
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• 2004

Aroma compounds in 6 different Byeolmijang were extracted by SDE (simultaneous steam distillation extraction) and analyzed with GC (gas chromatography) and GC/MS (mass-spectrometry). The major aroma compounds in the 6 different Byeolmijang during aging were 1-octene-3-ol, hexanal, benzeneacetaldehyde, benzaldehyde, furfural, pyrazine compounds, benzyl-alcohol, furan compounds and phenol type compounds. Generally, benzeneacetaldehyde, benzaldehyde, furfural, pyrazine compounds and phenol type compounds were increased during aging. On the other hand, 1-octene-3-ol, hexanal, benzyl-alcohol and furan compounds were decreased during aging. 2-Heptenal and 2,4-decadienal in Daemaekjang, pyrazine and phenol type compounds in Sanghwangjang and phenol type compounds including phenol, 4-methoxy-phenol and 4-ethyl-phenol in Mujang were identified as major aroma compounds, respectively. The major aroma compound in Bizijang was 2,4-decadienal and in Sodujang, the major aroma compounds were 2,3-dihydro-benzofuran and 2-methoxy-4-vinylphenol. Linaool, geraniol, 6-elemene, 6-lonone and ledene were detected in Jigeumjang possibly due to the addition of powdered red pepper.

• KOREAN JOURNAL OF CROP SCIENCE
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• v.56 no.4
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• pp.361-374
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• 2011

The cereal grain crops have strong flexibility against adverse environment and they have various functional compounds. The objective of the present study was to screen phenolic compounds in sorghum [Sorghum bicolor (L.) Moench], foxtail millet (Setaria italica), common millet (Panicum miliaceum L.) by high performance liquid chromatography (HPLC) with photodiode array (PDA) detector. Sorghum contained the highest amount of phenolic compounds among three different crops (sorghum, foxtail millet, common millet). Especially Moktaksusu showed the highest amount of phenolic compounds concentrations and biggest regional differences. The comparison of average phenolic compounds in sorghums by regions showed order to Milyang ($963.3\;{\mu}g{\cdot}g^{-1}$), Yeongyang ($923.1\;{\mu}g{\cdot}g^{-1}$), Gijang ($831.3\;{\mu}g{\cdot}g^{-1}$) and Bonghwa ($735.6\;{\mu}g{\cdot}g^{-1}$). Among the sorghum cultivars, Moktaksusu ($1407.9\;{\mu}g{\cdot}g^{-1}$) had the highest concentration of phenolic compounds. The average phenolic compounds of foxtail millets showed similar amount among Milyang ($319.0\;{\mu}g{\cdot}g^{-1}$), Gijang ($288.1\;{\mu}g{\cdot}g^{-1}$) and Bonghwa ($281.9\;{\mu}g{\cdot}g^{-1}$) areas. The phenolic compounds of Yeongyang ($246.6\;{\mu}g{\cdot}g^{-1}$) slightly low and that showed similar concentrations among three different regions. The concentration of phenolic compounds in foxtail millets, Chungchajo ($335.6\;{\mu}g{\cdot}g^{-1}$) showed the highest concentrations. The average phenolic compounds of common millets showed the highest concentrations in Milyang ($305.5\;{\mu}g{\cdot}g^{-1}$), Bonghwa ($262.0\;{\mu}g{\cdot}g^{-1}$), Gijang ($195.1\;{\mu}g{\cdot}g^{-1}$), Yeongyang ($237.2\;{\mu}g{\cdot}g^{-1}$) in decreasing order. The concentration of phenolic compounds of common millets was the highest in the Norangchalgijang ($337.0\;{\mu}g{\cdot}g^{-1}$), Hwanggumgijang ($250.0\;{\mu}g{\cdot}g^{-1}$) was also relatively higher than others. The results of this study will provide basic information for breeding sorghums, foxtail millets and common millets with higher phenolic compound concentrations.

• Journal of the Korean Wood Science and Technology
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• v.44 no.3
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• pp.430-439
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• 2016

Medicine herb residues boards were manufactured by using medicine herb residues, and emission properties of volatile compounds from boards were examined under various temperature conditions. The volatile compounds were identified with analysis of TD GC/MS by absorbing their flavor components in Tenax tubes. Total 88 volatile compounds were identified from the board. The number of identified compounds at temperature conditions of $25^{\circ}C$, $35^{\circ}C$, and $45^{\circ}C$ were 44, 55, and 65 kinds, respectively. The number of volatile compounds and the total peak area tended to increase with an increase in the temperature. The number of the flavor components detected in all temperature conditions were 34 kinds. Hydrocarbon compounds showed 93% of the detected flavor compounds at $25^{\circ}C$, 92% at $35^{\circ}C$, and 90% at $45^{\circ}C$. Ether compounds accounted for 4% and ketone, aldehyde, and acid-type compounds were detected in a small quantity. The hydrocarbons were composed of 17 kinds of monoterpenes and 39 kinds of sesquiterpenes, which accounted for 11% and 80%, respectively. The most detected compound of monoterpene was limonene, and the major flavor components of sesquiterpenes were ${\alpha}-curcumene$, zingiberene, ${\beta}-elemene$, ${\beta}-selinene$, ${\alpha}-amorphene$, and ${\alpha}-copaene$. Anethole (3.26%) known for ether compounds was detected considerably in all temperature conditions. The results suggest that the manufactured medicine herb residues board include various types of flavor compounds and the flavor compounds might be useful for the manufacture of various products.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2007.05a
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• pp.209-212
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• 2007

Rubber compounds have high viscoelastic property. One of the viscoelastic behaviors during profile extrusion is the swelling of extrudate. In this study, die swell of rubber compounds at the capillary die have been investigated through an experiment and computer simulation. They have been performed using fluidity tester in experiment and commercial CFD code, Polyflow in computer simulation. Die swell of rubber compounds for relaxation time at several modes under same conditions with the experiment were predicted using non-linear differential viscoelastic model, Phan-Thien-Tanner (PTT) model. The simulation was analyzed compared with the experiment. Viscoelastic behaviors for pressure, velocity and shear rate distribution were analyzed at the capillary die. It is concluded that the PTT model successfully represented the amount of the optimal die swell of rubber compounds for relaxation time at different modes.

• Food Science and Biotechnology
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• v.14 no.4
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• pp.529-532
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• 2005

Volatile compounds, isolated from Chopi (Zanthoxylum piperitum A.P. DC.) using steam distillation, were analyzed by gas chromatography/mass spectrometry-olfactometry (GC-MS-O). Forty-six volatile compounds, consisting of 12 hydrocarbons, 8 aldehydes, 5 esters, 12 alcohols, 4 ketones, 4 oxides and 1 acid, were tentatively identified from the essential oil of Chopi. Unidentified compounds constituted 7.2% of the total peak area. Limonene was the most abundant compound, followed by geranyl acetate, citronellal, cryptone and ${\beta}$-myrcene. In addition, aroma-active compounds, in particular citronellal and limonene, which are related to the citrus and Chopi flavors of Chopi essential oil, were detected. The aroma of Chopi essential oil had a score of 4.8 on the preference test (neither like nor dislike) and a score of 5.97 on the intensity test (slightly strong) using the 9-point hedonic scale.

• Journal of the Society of Cosmetic Scientists of Korea
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• v.23 no.3
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• pp.86-91
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• 1997

Some natural polyhydroxy aromatic compounds have inhibitory activity against tyrosinase, key enzyme for formation of melanin pigment. We examined the structure-activity relationship of the natural polyhydrowy aromatic compounds and synthesized a number of new derivetives through various methods. Skin lightening effects of these compounds were examined through inhibition of mushroom tyrosinase and inhibitory of melanogenesis on B-16 melanoma cells. These new compounds showed strong inhibitory activity against tyrosinase. Good lightening effects sue to inhibition of melanogenesis were observed from several resorcinol and pyrogallol derivatives. In toxicological tests such as skin primary irritation and sensitization, the above compounds were sufficiently safe for cosmetic use.

• Journal of Marine Bioscience and Biotechnology
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• v.2 no.3
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• pp.187-191
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• 2007

The radical scavenging activity of methanol extracts of seaweeds and their active compounds, alginic acid, fucoidan and phloroglucinol, were investigated under in vitro. Among methanol extracts of seaweeds (sea mustard, sea tangle, seaweed papulosa, fusiforme, sea lettuce, purple laver and chlorella), seaweed papulosa and sea tangle showed strong scavenging activities of 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical and hydroxyl radical (${\cdot}OH$). In addition, under in vitro, the scavenging activities on DPPH radical of alginic acid and fucoidan, which are active compounds of brown algae, and phloroglucinol, the active compound from Ecklonia species, were evaluated and compared. Fucoidan and phloroglucinol showed strong DPPH scavenging effect, in particular, phloroglucinol had strongest activity among the active compounds. On the other hand, alginic acid did not exert DPPH scavenging activity. From the present study, we could confirm the antioxidative activity of seaweeds and its active compounds.