• The Journal of the Korea institute of electronic communication sciences
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• v.11 no.10
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• pp.969-982
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• 2016

Recently, the researches to discovery drug candidates from natural herbs have received considerable attention. In human body, enzyme mostly metabolize the compounds of natural herbs. In this study, we analysis the enzyme interactions using assoication mining. We get this data from BRENDA(: BRaunschweig ENzyme DAtabase) system. Based on enzyme interaction model, we divide the metabolites into substrate metabolites, product metabolites, inhibitor metabolites, and activating metabolites. We then compose substrate metabolite transaction, product metabolite transaction with each metabolites and enzyme interaction transaction with all metabolites. Also we take account of organism for each transactions. We mine frequent metabolites and patterns from six transactions using association rule mining. And we analysis the relationship among metabolites. As a result, we identify the distributions and patterns of metabolites consist in enzyme interactions. We found that metabolites include in only substrate are identified and have very low supports. This results can be useful to develop the effective metabolism prediction model for compounds of natural herbs.

• Biomolecules & Therapeutics
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• v.30 no.6
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• pp.562-569
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• 2022

Etretinate, an acitretin metabolite, has a long retention duration in adipose tissues with a teratogenic potential. FDA advises a contraceptive period of at least three years after discontinuing acitretin. However, the effect of accumulated etretinate in adipose tissues on fetus is unknown. Although the teratogenic threshold for serum concentration of etretinate has been presented as higher than 2 ng/mL, that of acitretin is unknown. To examine factors affecting body retention of acitretin and etretinate, effects of acitretin dosage, acitretin-taking duration, elapsed time after stopping acitretin, age, sex, concomitant alcohol consumption, and foods and supplements rich in vitamin A intake on serum concentrations of acitretin and etretinate were analyzed in 14 acitretin-taken patients and 58 controls without taking acitretin or etretinate. Serum concentrations of acitretin, but not etretinate, tended to be inversely related to the discontinuation duration. They were also related to old age. Different from a published result that alcohol consumption could promote the metabolism of acitretin into etretinate, alcohol intake did not affect serum concentrations of etretinate. Unexpectedly, more frequent intake of vitamin A or provitamin A-rich food and supplements was associated with higher serum acitretin, whereas less frequent intake of vitamin A or provitamin A-rich food and supplements was associated with higher serum levels of etretinate in acitretin-taken patients. Despite preliminary data, inter-individual variations in serum retention of etretinate suggest the necessity of further research before applying the same guidelines to everyone to minimize unnecessary contraception.

• Investigative Magnetic Resonance Imaging
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• v.7 no.1
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• pp.31-38
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• 2003

Purpose : To analyze the serial changes of proton magnetic resonance (MR) spectra in the abscess and to determine the effect of the antibiotic treatment on the metabolite patterns. Materials and Methods : MR imaging and MR spectroscopy of an experimentally induced abscess were performed sequentially for four weeks at interval of one week in both the control group (n=5) and the antibiotic treatment group (n=5). On MR imaging, the shape and the size of the abscess were analyzed. On MR spectroscopy, the resonance peaks of metabolites were assigned on the basis of reported peaks in the literature. The metabolite ratios measured by using N-acetyl alanine as an external reference and by using lipid as an internal reference were compared in both the control and treatment g roups. Results : The abscesses were seen as cystic masses on MR imaging. On MR spectroscopy, the variable peaks of acetate, succinate and various amino acids, which are the metabolites of infection, were identified in the control and antibiotic treatment groups. The most frequent peak was that of acetate at 1.92ppm (70%). Both the peak ratios of acetate to lipid and acetate to external reference tended to decrease in the treatment group while the ratios did not change significantly in the control group. Conclusion : MR spectroscopy is useful not only for the diagnosis of abscess but also for monitoring the evolution of the abscess by using the acetate peak.

• Natural Product Sciences
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• v.27 no.2
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• pp.128-133
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• 2021

The Coumarin (1,2-benzopyrone) is the main secondary metabolite of Mikania laevigata Sch. Beep ex Baker and Mikania glomerata Spreng., which are popularly known as guaco. These plants have been used mainly in traditional medicine in the treatment of respiratory diseases because their bronchodilator effect. However, there are around 200 species of Mikania, which are quite similar in appearance. From these, only M. leavigata and M. glomerata have high concentrations of coumarins. In this line, the falsification of products Mikania based has been frequent. In this sense, this work demonstrated the application of the easy, fast, e not destructive method based in Nuclear Magnetic Resonance in quantitative mode (qNMR) for the determination of coumarin in both commercial and homemade guaco products. Thus, in the first step the compounds were extract from guaco leaves and syrups using chloroform (CHCl₃), with or without ultrasound. About the method, was linear with a R² = 0.9947 for 1,2-benzopyrone, with detection and quantification limits with were 0.11 and 0.36 mg mL^-1 respectively. In the same line, the method was safe with RSD <0.3% and with recovery ranging from 93-101%. To confirm the applicability of the method, in the last step was applied to 10 real samples (6 from leaves and 4 from syrups). The content of the coumarin in the leaf extract ranged from 0.62 to 1.30 mg mL^-1. For syrups I, II and IV, the content of coumarin was in accordance with the manufacturers. However, for de Syrup III, the concentration was 155% higher. In summary, the qNMR is a rapid method with minimal sample preparation that can be used to quantify coumarin in home-made plant extracts as well as in commercial samples as syrup for instance. This method is applicable for quality control of different plants-based products.

• Microbiology and Biotechnology Letters
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• v.50 no.4
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• pp.488-500
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• 2022

Most fungal infections by opportunistic yeast pathogens such as Candida spp. are the major causes of morbidity and mortality in patients with lowered immune. Previous studies have reported that some strains of Candida secret secondary metabolites play an important role in the decreasing of immunity in the infected patient. In this study, 110 Candida spp. were isolated from different clinical specimens from Baghdad hospitals. Candida isolates were identified by conventional methods, they were processed for Candida speciation on CHROMagar. The results of identification were confirmed by internal transcribed spacer (ITS) sequencing. Phylogenetic trees were analyzed with reference strains deposited in GenBank. Antifungal susceptibility testing was evaluated by the disc diffusion method and performed as recommended by the Clinical and Laboratory Standard Institute (CLSI) M44-A document. Candida isolates investigated produce secondary metabolites gliotoxin with HPLC technique and quantification. Out of 110 Candida isolates, C. albicans (66.36%) was the most frequent isolate, followed by the isolates of C. tropicalis (10.9%) and C. glabrata (6.36%) respectively. Concerning the antifungal susceptibility test, Candida isolates showed a high level of susceptibility to Miconazole (70.9%), Itraconazole (68.2%), and Nystatine (64.5%). The ability of obtained isolates of Candida spp. to produce gliotoxin on RPMI medium was investigated, only 28 isolates had the ability to secret this toxin in culture filtrates. The highest concentrations were detected in C. albicans (1.048 ㎍/ml). Gliotoxin productivity of other Candida species was significantly lower. The retention time for gliotoxin was approximately 5.08 min.

• Proceedings of the Korea Society of Environmental Biology Conference
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• 2005.12a
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• pp.38-45
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• 2005

The egg bags of Korean salamander(Hynobius leechii) were collected from farmlands in Gyeongsangnam-do area. The assumed breeding time, numerical variation of embryos in each egg bag, mortality and the rates of abnormalities were investigated. The toxicity of benomyl, the metabolite carbendazim and BIC which were frequently spread in agricultural area and caused spontaneous embryonic malformation was investigated. The assumed breeding time between the end of February and the end of March has the difference about a month because of a habitat and it takes about 2 or 3 weeks from laying eggs to hatching. The length of each egg bag and the number of embryos were very varied in each area. It is due to geographical variation. Among egg bags in total study area, only 406 of egg bags(17.70% of total egg bags) developed all of embryos to normal larvae, and 78.49% of total embryos were normally developed. The patterns of spontaneous embryonic malformation were 26 species from A to Z and the abnormal patterns in individual were 8 species and above. the geographical differences about the abnormal pattern were identified and 11 habitats categorized 4 groups. The most frequent abnormality in Gyeongsangnam-do area is the dysplasia of external gill. The caudal dysplasia, abdominal blister and dysplasia of fin were also frequently observed. Individuals showing severe external defect were histologically studied and they showed retinal hypo-pigmentation, thyroid carcinoma, somatic muscular dysplasia, degeneration of cephalic neuron and various organ dysplasia. Benomyl and carbendazim were treated by 10pM$^{\sim}$10uM and BIC was treated by 1$^{\sim}$40ppm to know the effect of toxicity about toxic substance of salamander. After benomyl was treated, a survival rate was sharply dropped from 2 to 8 days. $LC_{100}$ identified in $1{\mu}M$, $LC_{50}$ identified between 100nM and $1{\mu}M$. $EC_{50}$ was assumed between 10nM and 100nM. The prevalent external malformation was abdomen swelled abnormally and histo-pathological effects were abdomen, neural tube and lens hernia. This suggests that benomyl is the toxicitic substance which inhibits the development of digestive system and nervous system. The result of treated carbendazim was similar to that of the treated benomyl. The survival rate is sharply dropped between 2 and 6 days. $LC_{100}$ was identified $1{\mu}M$ and $LC_{50}$ was identified between 10nM and 100nM. This shows that cabendazim has stronger lethal toxicity than benomyl. Ventral blister, eye dysplasia and cephalic dysplasia in the individual of external malformation mean that cabendazim affected nervous system much more than benomyl. Because the toxicity of BIC affected less in the beginning but affected more in the near hatching period, the period causing toxicity is somewhat different. $LC_{100}$ identified near 40ppm and $LC_{50}$ identified near 25ppm. The external defect shows mainly ventral blister and histo-pathological results show intestinal deformities. This result suggests the BIC inhibited strongly the development of digestive system. These abnormal developments may be caused by antimitotic action, inhibition of tubulin complex, destruction of microtubule, inhibitions of neurulation and closing of neural fold, and by the inhibition of movement of neural crest cells of benomyl. These abnormal developments may be caused by the rupture of epithelium, the loss of microtubule, the reduction of spindle size, the inhibition of spindle assembly formation, the destruction of spindle poles of carbendazim. These abnormal developments may be caused cytotoxicity by inhibition of the synthesis of a number of macromolecules and similar reaction the inhibition of benomyl.