• Title/Summary/Keyword: Protein Informatics

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Comparative Homology Modeling and Ligand Docking Study of Human Catechol-O-Methyltransferase for Antiparkinson Drug Design

  • Lee, Jee-Young;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.26 no.11
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    • pp.1695-1700
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    • 2005
  • Catechol-O-methyltransferase (COMT, EC 2.1.1.6) is an S-adenosylmethionine (SAM, AdoMet) dependent methyltransferase, and is related to the functions of the neurotransmitters in various mental processes, such as Parkinson’s disease. COMT inhibitors represent a new class of antiparkinson drugs, when they are coadministered with levodopa. Based on x-ray structure of rat COMT (rCOMT), the three dimensional structure of human COMT (hCOMT) was constructed by comparative homology modeling using MODELLER. The catalytic site of these two proteins showed subtle differences, but these differences are important to determine the characterization of COMT inhibitor. Ligand docking study is carried out for complex of hCOMT and COMT inhibitors using AutoDock. Among fifteen inhibitors chosen from world patent, nine models were energetically favorable. The average value of heavy atomic RMSD was 1.5 $\AA$. Analysis of ligand-protein binding model implies that Arg201 on hCOMT plays important roles in the interactions with COMT inhibitors. This study may give insight to develop new ways of antiparkinson drug.

The Effects of Red Ginseng and Fermented Red Ginseng on Neurotoxicity in Mice Induced by MPTP (홍삼과 발효홍삼이 MPTP에 의해 유도된 생쥐의 신경독성에 미치는 영향)

  • Yoo, Hyunsook;Na, Samsik;Chong, Myongsoo
    • Journal of the Korean Institute of Oriental Medical Informatics
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    • v.19 no.2
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    • pp.1-20
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    • 2013
  • This research observed the interrelations between the active components found specifically in red ginseng and fermented red ginseng from among the variety of ginseng variations and the protective effect and anti-oxidant effect exercised on brain cells in the animal model for MPTP-induced neurotoxic Parkinson's Disease and obtained the following conclusions. The results above comprehensively demonstrated that the fermented red ginseng extract exercised greater protective effects against oxidant brain damage by MPTP when compared to the group administered with the red ginseng extract. This was induced an increase in TH protein expression, and further raised the efficiency of the anti-oxidant enzyme defensive system against neurotoxicity, thereby restraining the lipid peroxidation caused by the active oxygen generated during the course of MPTP metabolism and enhancing the body's defensive capacities in response to tissue damage, thereby demonstrating a protective effect against MPTP induced neurotoxicity.

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The study about the medical treatment and efficacy of Colostral milk (문헌고찰을 통한 Colostral milk의 의학적기전(醫學的機轉)과 효능(效能)에 관한 연구(硏究))

  • Han, Sung
    • Journal of the Korean Institute of Oriental Medical Informatics
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    • v.14 no.2
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    • pp.59-72
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    • 2008
  • It makes study on the medical treatment and efficacy of Colostral milk. It based on the established treatises and books, in order to studying about the literature of colostral milk. It makes a through study on the medical treatment mechanism and efficacy of colostral milk, the results as fllows. 1. Colostral milk is some special things for baby newborn, and the other men and women of course. It is low in fat, and high in carbohydrates, protein, and antibodies to help keep your body healthy. Colostral milk is easy to digest, and it is low in volume, but high in concentrated nutrition for the newborn and men and women. 2. Colostral milk provides some of living cells which will defend babies against many harmful agents. The immune factors is much higher in colostral milk than in nature milk. Colostral milk works as a vaccine. It contains some quantities of an antibody called secretory immunoglobulin A Which is a important substance to the baby and men, 3. Colostral milk has a role to play in the baby's gastrointestinal tract. A newborn's intestines are permeable. The colostral milk makes the gastrointestinal tract in general. In addition, colostral milk contains a lot of leukocytes.

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Physique, Physical Fitness, Body Composition and Blood Lipid by BMI of Female Students in a Teachers' College (여자 교대생들의 BMI에 따른 체격, 체력, 체조성 및 혈중지질 비교)

  • Kim, Do-Yeon;Kim, Jong-Won
    • Journal of health informatics and statistics
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    • v.42 no.1
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    • pp.53-62
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    • 2017
  • Objectives: The purpose of this study was to provide the basic materials to form sense of value for health and to emphasize the importance of physical education by comparative analysis of physique, physical fitness, body composition and blood. Methods: The subjects were 188 female college students and they were classified 3 groups by BMI: lower weight group (LWG), normal weight group (NWG), and over weight group (OWG). Results: In the physique, there was significantly high in order LWGNWG, OWG in unbalance of the upper and lower parts of the body, and LWG, OWGNWG, OWG in HDL-C. Conclusions: In the result of this study, it is recognized that regular exercise as well as eating right, life style are needed and offered to take part in the exercise programs for healthy campus life of female college students.

Hippocampus-dependent cognitive enhancement induced by systemic gintonin administration

  • Kim, Sungmin;Kim, Min-Soo;Park, Kwanghoon;Kim, Hyeon-Joong;Jung, Seok-Won;Nah, Seung-Yeol;Han, Jung-Soo;Chung, ChiHye
    • Journal of Ginseng Research
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    • v.40 no.1
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    • pp.55-61
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    • 2016
  • Background: A number of neurological and neurodegenerative diseases share impaired cognition as a common symptom. Therefore, the development of clinically applicable therapies to enhance cognition has yielded significant interest. Previously, we have shown that activation of lysophosphatidic acid receptors (LPARs) via gintonin application potentiates synaptic transmission by the blockade of $K^+$ channels in the mature hippocampus. However, whether gintonin may exert any beneficial impact directly on cognition at the neural circuitry level and the behavioral level has not been investigated. Methods: In the current study, we took advantage of gintonin, a novel LPAR agonist, to investigate the effect of gintonin-mediated LPAR activation on cognitive performances. Hippocampus-dependent fear memory test, synaptic plasticity in the hippocampal brain slices, and quantitative analysis on synaptic plasticity-related proteins were used. Results: Daily oral administration of gintonin for 1 wk significantly improved fear memory retention in the contextual fear-conditioning test in mice.We also found that oral administration of gintonin for 1 wk increased the expression of learning and memory-related proteins such as phosphorylated cyclic adenosine monophosphate-response element binding (CREB) protein and brain-derived neurotrophic factor (BDNF). In addition, prolonged gintonin administration enhanced long-term potentiation in the hippocampus. Conclusion: Our observations suggest that the systemic gintonin administration could successfully improve contextual memory formation at the molecular and synaptic levels as well as the behavioral level. Therefore, oral administration of gintonin may serve as an effective noninvasive, nonsurgical method of enhancing cognitive functions.

A5E promotes Cell growth Arrest and Apoptosis in Non Small Cell Lung Cancer

  • Bak, Ye Sol;Ham, Sun Young;O, Baatartsogt;Jung, Seung Hyun;Choi, Kang Duk;Han, Tae Young;Han, Il Young;Yoon, Do-Young
    • Journal of Applied Biological Chemistry
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    • v.57 no.2
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    • pp.113-122
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    • 2014
  • A5E is complex of several medicinal herb ethanol extracts. The aim of this study is investigating the anticancer effect for non-small cell lung cancer. The antitumor effects of A5E on NCI-H460 were examined by regulation of cell proliferation, apoptosis, cell cycle arrest, mitochondrial membrane potential (${\Delta}{\Psi}_m$), and apoptosis-related protein. Cell proliferation was measured by MTS assay. Apoptosis induced by A5E was confirmed by Annexin V-fluorescein isothiocyanate (FITC)/Propidium Iodide (PI) staining, and cell cycle arrest was measured by PI staining. NF-${\kappa}B$ translocation was detected by immunofluorescence and MMP (${\Delta}{\Psi}_m$) was measured by JC-1 staining. The expression of extrinsic pathway molecules such as FasL and FADD were elevated, and procaspase-8 was processed by A5E. In addition, intrinsic pathway related molecules were altered. The Bcl-2 and Bcl-xl levels decreased, Bax increased, and cytochrome C was released. In addition, the mitochondrial membrane potential collapsed, and caspase-3 and poly-(ADP-ribose) polymerase were processed by A5E. Moreover, A5E affected the cellular survival pathway involving phosphatidylinositol 3-kinase (PI3K)/Akt and NF-${\kappa}B$. PI3K and Akt were downregulated, also NF-${\kappa}B$ expression was decreased, and nuclear translocalization was inhibited by A5E. These results suggested that A5E delays proliferation, inhibit cell cycle progression and induce apoptosis in human lung cancer cell. We conclude that A5E is a potential anticancer agent for human lung carcinoma.

A1E Induces Apoptosis via Targeting HPV E6/E7 Oncogenes and Intrinsic Pathways in Cervical Cancer Cells

  • Ham, Sun Young;Bak, Ye Sol;Kwon, Tae Ho;Kang, Jeong Woo;Choi, Kang Duk;Han, Tae Young;Han, Il Young;Yang, Young;Jung, Seung Hyun;Yoon, Do Young
    • Journal of Applied Biological Chemistry
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    • v.57 no.2
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    • pp.103-111
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    • 2014
  • A1E is an extract from traditional Asian medicinal plants that has therapeutic activities against cancers, metabolic disease, and other intractable conditions. However, its mechanism of action on cervical cancer has not been studied. In order to ascertain if A1E would have pronounced anti-cervical cancer effect, cervical cancer cells were incubated with A1E and apoptosis was detected by nuclear morphological changes, annexin V-FITC/PI staining, cell cycle analysis, western blotting, Reverse-transcription polymerase chain reaction, and measurement of mitochondrial membrane potential. Expression of human papiloma virus E6 and E7 oncogenes was down-regulated in A1E-treated cervical cancer cells, while p53 and retinoblastoma protein levels were enhanced. A1E also perturbed cell cycle progression at sub-G1 and altered cell cycle regulatory factors in SiHa cervical cancer cells. A1E activated apoptotic intrinsic pathway markers such as caspase-9, caspase-3 and poly ADP-ribose polymerase, and down-regulated expression of Bcl-2 and Bcl-xl. A1E induced mitochondrial membrane potential collapse and cytochrome c release, and inhibited phosphatidylinositol 3-kinase (PI3K)/Akt, key factors involved in cell survival signaling. Taken all these results, A1E induced apoptosis via activation of the intrinsic pathway and inhibition of the PI3K/Akt survival-signaling pathway in SiHa cervical cancer cells. In conclusion, A1E exerts anti-proliferative action growth inhibition on cervical cancer cells through apoptosis which demonstrates its anti-cervical cancer properties.

Effect of Soy Protein Hydrolyzate on Lipid Metabolism and Antioxidant Activity in the Rat (대두단백가수분해물이 흰쥐의 지질대사와 항산화에 미치는 영향)

  • Han, Yoon-Hee;Park, Sang-Kyu;Kim, Hye-Young
    • Journal of Nutrition and Health
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    • v.41 no.2
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    • pp.119-126
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    • 2008
  • This study was conducted to investigate the effect of soy protein hydrolyzate on lipid metabolism and antioxidant activity in the rat. Thirty-eight male rats of Sprague-Dawley strain were divided into five groups: casein, isolated soy protein (ISP), seoritae protein hydrolyzate (SH), soluble soy protein hydrolyzate (SS), and insoluble soy protein hydrolyzate (IS). The control diet (casein group) contained 20% casein protein and experimental diet contained 10% casein and 10% isolated soy-protein or soy-protein hydrolyzate. Fecal lipid content was increased and lipid apparent absorption rate was decreased significantly by the ISP group at the first week of experimental period. Blood triglyceride, total cholesterol, LDL-cholesterol and atherogenic index (AI) were decreased by soy protein hydrolyzate groups than casein group. Liver total lipid, triglyceride and cholesterol were not different among groups, but showed decreasing tendencies in soyprotein hydrolyzate groups. The lipid lowering effect was prominent in the IS group among soy protein hydrolyzate groups. Total antioxidant activity showed increasing tendency in the seoritae hydrolyzate group. Liver superoxide dismutase (SOD), glutathione peroxidase (GPx) and catalase activities also showed higher tendencies in the seoritae hydrolyzate group than other groups. In conclusion, insoluble soyprotein hydrolyzate was more effective in lowering body lipids and seoritae hydrolyzate had higher antioxidant capacity among soy protein hydrolyzates.

Korean Red Ginseng mitigates spinal demyelination in a model of acute multiple sclerosis by downregulating p38 mitogen-activated protein kinase and nuclear factor-κB signaling pathways

  • Lee, Min Jung;Chang, Byung Joon;Oh, Seikwan;Nah, Seung-Yeol;Cho, Ik-Hyun
    • Journal of Ginseng Research
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    • v.42 no.4
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    • pp.436-446
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    • 2018
  • Background: The potential therapeutic values of Korean Red Ginseng extract (KRGE) in autoimmune disorders of nervous system have not been fully investigated. Methods: We used an acute experimental autoimmune encephalomyelitis animal model of multiple sclerosis and determined the effects and mechanism of KRGE on spinal myelination. Results: Pretreatment with KRGE (100 mg/kg, orally) for 10 days before immunization with myelin basic protein $(MBP)_{68-82}$ peptide exerted a protective effect against demyelination in the spinal cord, with inhibited recruitment and activation of immune cells including microglia, decreased mRNA expression of detrimental inflammatory mediators (interleukin-6, interferon-${\gamma}$, and cyclooxygenase-2), but increased mRNA expression of protective inflammatory mediators (insulin-like growth factor ${\beta}1$, transforming growth factor ${\beta}$, and vascular endothelial growth factor-1). These results were associated with significant downregulation of p38 mitogen-activated protein kinase and nuclear factor-${\kappa}B$ signaling pathways in microglia/macrophages, T cells, and astrocytes. Conclusion: Our findings suggest that KRGE alleviates spinal demyelination in acute experimental autoimmune encephalomyelitis through inhibiting the activation of the p38 mitogen-activated protein kinase/nuclear factor-${\kappa}B$ signaling pathway. Therefore, KRGE might be used as a new therapeutic for autoimmune disorders such as multiple sclerosis, although further investigation is needed.

Comparative Genomics of T-complex protein 10 like in Humans and Chimpanzees

  • Kim, Il-Chul;Kim, Dae-Soo;Kim, Dae-Won;Choi, Sang-Haeng;Choi, Han-Ho;Chae, Sung-Hwa;Park, Hong-Seog
    • Genomics & Informatics
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    • v.3 no.2
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    • pp.61-65
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    • 2005
  • Comparing 231 genes on chimpanzee chromosome 22 with their orthologous on human chromosome 21, we have found that 15 orthologs have indels within their coding sequences. It was rather surprising that significant number of genes have changed by indel, despite the shorter time since their divergence and led us hypothesize that indels and structural changes may represent one of the major mechanism of proteome evolution in the higher primates. Human T-complex protein 10 like (TCP 10L) is a representative having indel within its coding sequence. Gene structure of human TCP10L compared with chimpanzee TCP10L gene showed 16 base pair difference in genomic DNA. As a result of the indel, frame shift mutation occurs in coding sequence (CDS) and human TCP10L express longer polypeptide of 21 amino acid residues than that of chimpanzee. Our prediction found that the indel may affect to dramatic change of secondary protein structure between human and chimpanzee TCP10L. Especially, the structural changes in the C-terminal region of TCP10L protein may affect on the interacting potential to other proteins rather than DNA binding function of the protein. Through these changes, TCP10L might influence gene expression profiles in liver and testis and subsequently influence the physiological changes required in primate evolution.