• Title/Summary/Keyword: protein score function

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Directional adjacency-score function for protein fold recognition

  • Heo, Mu-Young;Cheon, Moo-Kyung;Kim, Suhk-Mann;Chung, Kwang-Hoon;Chang, Ik-Soo
    • Interdisciplinary Bio Central
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    • v.1 no.2
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    • pp.8.1-8.6
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    • 2009
  • Introduction: It is a challenge to design a protein score function which stabilizes the native structures of many proteins simultaneously. The coarse-grained description of proteins to construct the pairwise-contact score function usually ignores the backbone directionality of protein structures. We propose a new two-body score function which stabilizes all native states of 1,006 proteins simultaneously. This two-body score function differs from the usual pairwise-contact functions in that it considers two adjacent amino acids at two ends of each peptide bond with the backbone directionality from the N-terminal to the C-terminal. The score is a corresponding propensity for a directional alignment of two adjacent amino acids with their local environments. Results and Discussion: We show that the construction of a directional adjacency-score function was achieved using 1,006 training proteins with the sequence homology less than 30%, which include all representatives of different protein classes. After parameterizing the local environments of amino acids into 9 categories depending on three secondary structures and three kinds of hydrophobicity of amino acids, the 32,400 adjacency-scores of amino acids could be determined by the perceptron learning and the protein threading. These could stabilize simultaneously all native folds of 1,006 training proteins. When these parameters are tested on the new distinct 382 proteins with the sequence homology less than 90%, 371 (97.1%) proteins could recognize their native folds. We also showed using these parameters that the retro sequence of the SH3 domain, the B domain of Staphylococcal protein A, and the B1 domain of Streptococcal protein G could not be stabilized to fold, which agrees with the experimental evidence.

Docking Studies on Formylchromone Derivatives as Protein Tyrosine Phosphatase 1B (PTP1B) Inhibitors

  • Kim, Chan-Kyung;Lee, Kyung-A;Zhang, Hui;Cho, Hyeong-Jin;Lee, Bon-Su
    • Bulletin of the Korean Chemical Society
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    • v.28 no.7
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    • pp.1141-1150
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    • 2007
  • Molecular modeling study has been performed to assist in the design of PTP1B inhibitors using FlexX. FlexX dockings with 19 test ligands, whose structures have been determined by X-ray crystallography, were successful in reproducing the experimental conformations within the protein. An increase in biological activity is observed as hydrophobic character of formylchromone derivatives increases. Most ligands bind to the activesite regions of the protein successfully in two different score runs. The Drug score run gave better results than the FlexX score run based on the score, rank, binding modes and bond distance of docked structures. Consensus values from the CScore scoring function are between 3 and 5, suggesting that the scoring scheme is reliable. All formylchromone inhibitors considered in this work show unidirectional binding modes in the active site pocket, which is contrary to the bidirectional X-ray results by Malamas et al. and amino acid residues responsible for such orientation are identified to help further development of the inhibitors.

Proteome Analysis of Bovine Longissimus dorsi Muscle Associated with the Marbling Score

  • Shen, Y.N.;Kim, S.H.;Yoon, D.H.;Lee, H.G.;Kang, H.S.;Seo, K.S.
    • Asian-Australasian Journal of Animal Sciences
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    • v.25 no.8
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    • pp.1083-1088
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    • 2012
  • The breeding value of marbling score in skeletal muscle is an important factor for evaluating beef quality. In the present study, we investigated proteins associated with the breeding value of the marbling score for bovine sirloin to select potential biomarkers to improve meat quality through comparative proteomic analysis. Proteins isolated from muscle were separated by two-dimensional gel electrophoresis. After analyzing images of the stained gel, seven protein spots for the high marbling score group were identified corresponding to changes in expression that were at least two-fold compared to the low marbling score group. Four spots with increased intensities in the high marbling score group were identified as phosphoglycerate kinase 1, triosephophate isomerase, acidic ribosomal phosphoprotein PO, and capping protein (actin filament) Z-line alpha 2. Spots with decreased intensities in the high marbling score group compared to the low score group were identified as 14-3-3 epsilon, carbonic anhydrase II, and myosin light chain 1. Expression of myosin light chain 1 and carbonic anhydrase 2 was confirmed by Western blotting. Taken together, these data could help improve the economic performance of cattle and provide useful information about the underlying the function of bovine skeletal muscle.

Effects of Brisk Walking & Muscle Strengthening Exercise Using Thera-band on Pain, Fatigue, Physical Function, and Disease Activity in Patients with Rheumatoid Arthritis (걷기운동 및 Thera-Band를 이용한 하지근육 강화운동이 류마티스 관절염 환자의 통증, 피로, 신체적 기능정도 및 질병활성도에 미치는 효과)

  • Lee, Eun-Nam
    • The Korean Journal of Rehabilitation Nursing
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    • v.4 no.1
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    • pp.84-93
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    • 2001
  • The effects of brisk walking & muscle strengthening exercise on pain, fatigue, physical function & disease activity were examined in 28 patients with rheumatoid arthritis. Research design was a quasi-experimental study of non-equivalent control group pretest-posttest design. 14 for the experimental group and 14 for the control group were selected from the out patients on rheumatoid arthritis clinic of Dong-A University Hospital. The experimental group underwent 16 weeks of brisk walking and muscle strengthening exercise using Thera-Band. Pain, fatigue, physical function & disease activity was measured before and after 16 weeks of exercise. At baseline test, Fatigue & physical function score between groups were significantly different. So differences with in experimental group(baseline versus follow up) were compared with differences within the control group by Mann-Whitney test. There were significant differences between groups in the difference score on pain (U=6.50 p<.001) and fatigue (U=26.5 p<.01). For the experimental group, the score on the pain & fatigue was significantly decreased but no changed for the control group. Also there was a significant differences between groups in the difference score of the physical function (U=22.5 p<.001). For the experimental group, the score of the physical function has been significantly in creased. However, for the control group, it has been no changed. But there were no significant differences between groups in the ESR (erythrocyte sedimentation rate) and the CRP (C-reactive protein)level. In summary, brisk walking & muscle strengthening exercise led to significant improvements in pain, fatigue, and physical function without exacerbating disease activity in patients with rheumatoid arthritis.

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Relationship between Cognitive Function and Dietary Patterns in Korean Elderly Women (한국 여자 노인의 인지능력과 영양섭취패턴과의 관계)

  • 김정현;강순아;안향숙;정인경;이일하
    • Journal of Nutrition and Health
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    • v.31 no.9
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    • pp.1457-1467
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    • 1998
  • The relationship between cognitive function and dietary patterns in Korean elderly women was investigated in this study. Twenty-four-hour dietary recall and cognitive function tests were performed in 170 elderly women aged over 60 years. Average age of the subjects was 71 years and the average number of family members was 3.3. Most of the subjects had less than seven years of education and their monthly income was much lower than the Korean average. Most of the subjects engaged in regular exercise and did not indulge in drinking and smoking. The average cognitive function score of the subjects was 58.4. Most of the subjects appeared to consume insufficient amount of food ; average intakes of energy, Ca, iron, vitamin A, and riboflavin were lower than RDA for the elderly. Cognitive function score was positively related to education level and regularity of exercise. Also, cognitive function score had a strong relationship with food intake such as total amounts of foods, fish and shellfish, milk and dairy products, total animal food, fruit, bread and sugar. Energy, protein, Ca, p, riboflavin, and niacin were also shown to have positive relationships to cognitive function score, while carbohydrate caloric ratio had a negative relationship with cognitive function. According to the results of multiple regression analysis, factors that most influenced on cognitive function were education level and riboflavin intake. The subjects who had more than seven years of education had significantly higher cognitive function scores than those with no school education. And cognitive function scores f3r those who consumed more than 2/3 of the RDA for most nutrients were significantly higher than the ones fir the subjects who consumed less than 2/3 of the RDA. These results suggest that proper education and adequate nutrient intake in quantity and quality by achieving food diversity are essential in maintaining cognitive function in later life (Korean J Nutrition 31(9) : 1457-1467, 1998)

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A Study on the Relations between Dietary Intake and Cognitive Function in the Elderly (노인에 있어서 영양섭취실태와 인지능력과의 관계에 대한 조사연구)

  • Park, Soon-Ok;Han, Sung-Sook;Ko, Yang-Sook;Kim, Yeon-Joong;Lee, Hyun-Sook;Kang, Nam-E;Lee, Jae-Hoon;Kim, Woo-Kyung;Kim, Sook-He
    • Journal of the Korean Society of Food Culture
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    • v.7 no.2
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    • pp.149-155
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    • 1992
  • This study was carried out to find out the effect of dietary intake on cognitive function retardation in old age using dietary survey and cognitive function test. The subjects were 332 men of 50-94 years old and their activities of daily living were very similar. The cognitive function was tested by Mini Mental State Examination (MMSE)-K which was translated from MMSE, and the 24-hour recall method was used for dietary survey. Scoring of MMSE-K was a little different from MMSE, that is, in case of no education, one to four points were added to exclude the effect of education which has been considered as a confounder by many researchers. The number of subjects belonging to below 23 of MMSE-K score was increased by increasing age. Even though points were added in case of no education, the ratio of below 23 MMSE-K score group was diminished by increasing education. Therefore, education seems not to be a confounder but a independent variable on cognitive function. Income, past occupation, family type, self-evaluated health status did not play any effect on cognitive function significantly. On the other hand, the correlation between each nutrients and the score of cognitive function test showed that the more consumption of vitamin A and protein, the higher cognitive function score was obtained. In case of iron and Ca, even though it was not statistically significant, there was a tendency of increasing cognitive function score by increasing the intake of those nutrients. This study suggests that micronutrient intakes might be more related to cognitive function than macronutrients.

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Association between nutritional status and cognitive functions of the Korean elderly

  • Chung, Hae Kyung;Shin, Dayeon;Kim, Mi-Hye
    • CELLMED
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    • v.7 no.3
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    • pp.13.1-13.10
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    • 2017
  • Nutrition is one of the factors influencing cognitive functions. But, the role of nutrition on cognitive functions within the elderly is recognized to a lesser degree. The aim of this academic endeavor was to analyze the affiliation between nutritional status and cognitive functions of the elderly in Korea. 316 subjects, of 114 male and 201 female aged above 65 years, were gathered from university hospital clinics, Elderly Welfare Centers, and Health Welfare Centers located in the district of Seoul, Gyeonggi province, and Incheon in Korea. The cognitive function was tested by the Korean-Mini Mental State Examination (K-MMSE) questionnaire. Nutrition intake was assessed by a 24-hour recall, a food frequency questionnaire (FFQ). Nutrition adequacy and quality were assessed by the Nutrition Screening Initiative (NSI) checklist, the nutritional adequacy ratio (NAR), and the mean adequacy ratio (MAR). The elderly with normal cognitive function status displayed significantly higher levels of calcium, riboflavin, thiamin, folate, vitamin C, vitamin E, vitamin B6, phosphorous, potassium, iron, niacin, zinc, animal fat, animal protein, polyunsaturated fatty acids, total protein, vegetable oil, vegetable protein, fiber than levels of the elderly with moderate cognitive impairment. The K-MMSE score positively correlated with of high consumption of pork, white radish, sea mustard, tomato, tangerine, grape, apple, and ice cream, and K-MMSE was negatively associated with high intake of potato, anchovy, fish cake, and mushroom. The findings suggest that nutritional status is affiliated with cognitive function within the elderly of Korea. The consumption of variety of foods and nutrients ensures adequate cognitive function in the Korean elderly.

Recent Development of Scoring Functions on Small Molecular Docking (소분자 도킹에서의 평가함수의 개발 동향)

  • Chung, Hwan Won;Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.3 no.1
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    • pp.49-53
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    • 2010
  • Molecular docking is a critical event which mostly forms Van der waals complex in molecular recognition. Since the majority of developed drugs are small molecules, docking them into proteins has been a prime concern in drug discovery community. Since the binding pose space is too vast to cover completely, many search algorithms such as genetic algorithm, Monte Carlo, simulated annealing, distance geometry have been developed. Proper evaluation of the quality of binding is an essential problem. Scoring functions derived from force fields handle the ligand binding prediction with the use of potential energies and sometimes in combination with solvation and entropy contributions. Knowledge-based scoring functions are based on atom pair potentials derived from structural databases. Forces and potentials are collected from known protein-ligand complexes to get a score for their binding affinities (e.g. PME). Empirical scoring functions are derived from training sets of protein-ligand complexes with determined affinity data. Because non of any single scoring function performs generally better than others, some other approaches have been tried. Although numerous scoring functions have been developed to locate the correct binding poses, it still remains a major hurdle to derive an accurate scoring function for general targets. Recently, consensus scoring functions and target specific scoring functions have been studied to overcome the current limitations.

The Effects of Artificial Balneotherapy on Osteoarthritis (인공 온천수가 퇴행성 슬관절염에 미치는 효과)

  • Park Rae-Joon;Han Dong-Wook;Park Chang-Gon;Lee Hyun-Kee
    • The Journal of Korean Physical Therapy
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    • v.15 no.2
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    • pp.131-145
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    • 2003
  • The purpose of this study was to evaluate effects of artificial balenotherapy on the with degenerative osteoarthritis were selected as the subject do this study among the patients with degenerative osteoarthritis having pains in their knees by the criteria of America Rheumatoid Association. And the randomly selected ten patients out of the twenty were classified as an artificial balenotherapy group and the other the Patients were in a control group. Ten individuals with degenerative osteoarthritis patients in the artificial balenotherapy group Participated in artificial balenotherapy Program four weeks from March 1st, 2003 to March 31st, 2003 in Daegu 00 hospital. Ten individuals with degenerative osteoarthritis in the control group did not receive Artificial Balenotherapy. The conclusions were as follows: 1. After 4 weeks of therapy, the score of WBC(p < 0.01), RBC(p < 0.01), HTC(p < 0.01) in the artificial blalenotherapy group were significantly decreased, compared with their scores in pre-intervention. 2.In the balenotherapy group, significantly increase $Na^{+}$ ion(P < 0.05), decrease K ion(p < 0.01), unchanged Cl ion scores were found, compared with their scores in pro-intervention. 3. The result of the substudy about the effects of artificial balenotherapy on the substances that have relations with the function of liver were following that artificial balenotherapy group, increased total bilirubin(P < 0.01), unchanged total Protein, Albumin, total cholesterol, GOT, GPT, ALP were found, compared with their score in pre-intervention. 4. The result of the substudy about the effects of artificial balenotherapy on the substances that have relations with the function of kidney were following that in the artificial balenotherapy group, reduced BUN(P < 0.05), and increased creatine were found. 5. The result of the substudy about effects of artificial balenotherapy on the knee pain visual analog score, knee's functional score, ADL score were following that in the artificial balenotherapy group, decreased VAS score(P < 0.05), increased ADL score(p < 0.01), unchanged knee's functional score were founf, compared with their scores of the pre-intervention. In conclusion, the result of this study suggest that artificial balenotherapy improved ADL score and reduced knee pain visual analog score of the patients with degenerative osteoarthritis. The result proposed that appropriate use of artificial balenotherapy improves the degenerative osteoarthritis

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Effects of Blends of Low-Protein Winter Wheat Flour and Barley Byproducts on Quality Changes in Noodles

  • Lee, Na-Young
    • Preventive Nutrition and Food Science
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    • v.21 no.4
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    • pp.361-366
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    • 2016
  • The physicochemical characteristics of fresh noodles made with blends of low-protein wheat flour and barley byproduct (BBP, $250{\mu}m$) were investigated. The crude protein contents (PC) of flour from Goso and Backjoong cultivars were 7.91% and 7.67%, respectively. PC and ${\beta}$-glucan contents from the BBP were 14.10% and 3.11%, respectively, which were higher than those in wheat flour. The water-holding capacity (WHC) of various blends was increased as a function of BBP but not gluten contents. Goso flour had the highest starch content (78.68%), with peak and final viscosities of 3,099 and 3,563 cp, respectively. Peak and final viscosities, trough, breakdown, and setback of the blends were decreased with the addition of BBP. Noodles made with Backjoong had the highest thickness score, while the hardness of noodles made with blends of Goso or Backjoong and 20% BBP were similar to those made from wheat flour only. The WHC of the samples was strongly correlated with PC, crude fiber, and ${\beta}$-glucan. The PC was not correlated with final viscosity, setback, thickness, hardness, gumminess, or chewiness.