• 제목/요약/키워드: structure-activity relationships

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Ginsentology II: Chemical Structure-Biological Activity Relationship of Ginsenoside

  • Lee, Byung-Hwan;Nah, Seung-Yeol
    • Journal of Ginseng Research
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    • 제31권2호
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    • pp.69-73
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    • 2007
  • Since chemical structures of ginsenoside as active ingredient of Panax ginseng are known, accumulating evidence have shown that ginsenoside is one of bio-active ligands through the diverse physiological and pharmacological evaluations. Chemical structures of ginsenoside could be divided into three parts depending on diol or triol ginsenoside: Steroid- or cholesterol-like backbone structure, carbohydrate portions, which are attached at the carbon-3, -6 or -20, and aliphatic side chain coupled to the backbone structure at the carbon-20. Ginsenosides also exist as stereoisomer at the carbon-20. Bioactive ligands usually exhibit the their structure-function relationships. In ginsenosides, there is little known about the relationship of chemical structure and biological activity. Recent reports have shown that ginsenoside $Rg_3$, one of active ginsenosides, exhibits its differential physiological or pharmacological actions depending on its chemical structure. This review will show how ginsenoside $Rg_3$, as a model compound, is functionally coupled to voltage-gated ion channel or ligand-gated ion channel regulations in related with its chemical structure.

Synthesis of 3-arylisoquinolinamines and 3D-Quantitative Structure Activity Relationships Study

  • Min, Sun-Young;Cho, Won-Jea
    • 대한약학회:학술대회논문집
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    • 대한약학회 2002년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2
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    • pp.348.2-348.2
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    • 2002
  • The significant antitumor activities of 3-arylisoquinolines promoted us to explore the structure-activity relationship of these compounds. A series of 3-Arylisoquinoline derivatives, which related to Benzo[c] phenanthridine alkaloids. were evaluated for antitumor cytotoxicity against human lung tumor cell (A 549). We tried to study structure-activity relationship (SAR) of 3-Arylisoquinolines using the comparative molecular field analysis (CoMFA) method. (omitted)

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병원 재무비율 지표들 간의 구조적인 관계 분석 (An Analysis of Structural Relationships among Financial Indicators of Hospitals in Korea: Applying Structural Equation Modeling(SEM))

  • 정민수;이건형;최만규
    • 보건행정학회지
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    • 제18권2호
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    • pp.19-38
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    • 2008
  • Financial ratios are key indicators of an organization's financial and business conditions. Among various financial indicators, profitability, financial structure, financial activity and liquidity ratios are frequently used and analyzed. Using the structural equation modeling(SEM) technique, this study examines the structural causal relationships among key financial indicators. Data for this study are taken from complete financial statements from 142 hospitals that passed the standardization audit undertaken by the Korean Hospital Association from 1998 to 2001 for the purpose of accrediting teaching hospitals. In order to improve comparability, ratio values are standardized using the Blom's normal distribution. The final model of the SEM has four latent constructs: financial activity(total asset turnover, fixed asset turnover), liquidity(current ratio, quick ratio, collection period), financial structure(total debt to equity, long-term debt to equity, fixed assets to fund balance), and profitability(return on assets, normal profit to total assets, operating margin to gross revenue, normal profit to gross revenue). While examining several model fit indices(Chi-square (df) = 178.661 (40), likelihood ratio=4.467, RMR=.11, GFI=.849, RMSEA=.157), the final SEM we employed shows a relatively good fit. After examining the path coefficient of the constructs, the financial structure of the hospital affects the hospital's profitability in a statistically significant way. A hospital which utilizes its liabilities, more specifically fixed liabilities, and makes a stable investment decision for fixed assets was found to have a higher profitability than other hospitals. Then, the standard path coefficients were examined to directly compare the influence of variables. It was found that there were no statistically significant path coefficients among constructs. When it comes to variables, however, statistically significant relationships were found. between. financial activity and. fixed. asset turnover, and between profitability and normal profit to gross revenue. These results show that the observed variables of fixed asset turnover and normal profit to gross revenue can be used as indicators representing financial activity and profitability.

Rana box를 포함한 Brevinin-1 및 Thanatin의 구조-상생활성 상관관계 (Structure-antibiotic Acitivity Relationships of Brevinin-1 and Thanatin Containing Rana Box)

  • 신송엽;강주현;이동건;장소윤;서무열;함경수
    • 한국미생물·생명공학회지
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    • 제27권6호
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    • pp.440-445
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    • 1999
  • In order to investigate structure-antibiotic activity relationships of brevinin-1 and thanatin containing Rana box composed of basic loop formed by disulfide bridge in their arboxy terminus, thanatin, brevinin 1 and their analogues (T-B1, T-B2 and B-T) in which their Rana box sequence exchanged was designed and synthesized by the solid phase method using Fmoc-chemistry. The basic sequence of Rana box of thanatin had more significant effect on both antibacterial and antifungal activity than that of brevinin 1. The tail sequence (QRM) of thanatin was found to be important in its antibacterial and antifungal activity. Rana box sequence of brevinin-1 did not have a significant effect on its antitumor and phospholipid vesicle-aggregating activities. Brevinin-1 showed stronger $\alpha$-helical structure in the membrane-mimicking environment such as SDS micelle than thanatin. A remarkable increase in a-helicity of bervinin-1 plays more important role in antibiotic activity than that of thanatin. Furthermore, antibacterial activity of thanatin against E. coli resulted from the disruptive effect against the outer cell membrane of E. coli.

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Structure-Activity Relationships of 9-mer Antimicrobial Peptide analogue of Protaetiamycine, 9Pbw2

  • Kim, Jin-Kyoung;Lee, Eun-Jung;Jung, Ki-Woong;Kim, Yang-Mee
    • 한국자기공명학회논문지
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    • 제15권1호
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    • pp.1-13
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    • 2011
  • 9Pbw2 is a 9-mer analog of protaetiamycine derived from the larvae of the beetle Protaetia brevitarsis. Previously, we designed four 9-mer peptide analogues to optimize the balance between the hydrophobicity and cationicity of the peptides and to increase bacterial cell selectivity. Among them, 9Pbw2 has high antibacterial activity without cytotoxicity. The results obtained in previous study suggest that the bactericidal action of 9Pbw2 may be attributed to the inhibition of the functions of intracellular components after penetration of the bacterial cell membrane. In order to understand structure-activity relationships, we determined the three-dimensional structure of 9Pbw2 in 200 mM DPC micelle by NMR spectroscopy. 9Pbw2 has one hydrophobic turn helix from $Trp^3$ to $Arg^8$ and positively charged residues at the N- and C-terminus. This result suggested that positively charged residues from position at the C-terminus in 9Pbw2 may be important for the primary binding to the negatively charged phospholipid head groups in bacterial cell membranes and hydrophobic residues in the middle portion face toward the acyl chains of the hydrophobic lipid in the bacterial cell membrane.

Multiple Relationships Between Impairment, Activity and Participation-based Clinical Outcome Measures in 200 Low Back Pain

  • Chanhee Park
    • 한국전문물리치료학회지
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    • 제30권2호
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    • pp.136-143
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    • 2023
  • Background: The International Classification of Functioning, Disability and Health (ICF) model, created by the World Health Organization, provides a theoretical framework that can be applied in the diagnosis and treatment of various disorders. Objects: Our research purposed to ascertain the relationship between structure/function, activity, and participation domain variables of the ICF and pain, pain-associated disability, activities of daily living (ADL), and quality of life in patients with chronic low back pain (LBP). Methods: Two-hundred patients with chronic LBP (mean age: 35.5 ± 8.8 years, females, n = 40) were recruited from hospital and community settings. We evaluated the body structure/function domain variable using the Numeric Pain Rating Scale (NPRS) and Roland-Morris disability (RMD) questionnaire. To evaluate the activity domain variable, we used the Oswestry Disability Index (ODI) and Quebec Back Pain Disability Scale (QBDS). For clinical outcome measures, we used Short-form 12 (SF-12). Pearson's correlation coefficient was used to ascertain the relationships among the variables (p < 0.05). All the participants with LBP received 30 minutes of conventional physical therapy 3 days/week for 4 weeks. Results: There were significant correlations between the body structure/function domain (NPRS and RMD questionnaire), activity domain (ODI and QBDS), and participation domain variables (SF-12), rending from pre-intervention (r = -0.723 to 0.783) and postintervention (r = -0.742 to 0.757, p < 0.05). Conclusion: The identification of a significant difference between these domain variables point to important relationships between pain, disability, performance of ADL, and quality in participants with LBP.

Structure-Activity Relationship for Antidepressant Effect of Luteolin and Its Related Derivatives Isolated from Taraxacum mongolicum

  • Hwang, Keum Hee;Lee, Nam Kyung;Kim, Gun Hee
    • Natural Product Sciences
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    • 제19권1호
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    • pp.8-14
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    • 2013
  • The inhibitory effect and the structure-activity relationships of luteolin and its related derivatives isolated from Taraxacum mongolicum against MAO activities were investigated. The activity-guided isolation of extract from Taraxacum mongolicum led to the isolation of three flavonoids, luteolin, diosmetin, and luteolin-7-glucoside, a polyphenol, chlorogenic acid, a tyrosine and a uridine. The inhibitory activities of luteolin and its related derivatives against MAOs activities are dependent on their molecular structures. The presence of the phenolic hydroxy group at para-position is the active site for MAO-A inhibition as well as of MAO-B. The methoxy group has no potential on MAO-A inhibition. An additional phenolic hydroxy group at the ortho-position alleviates about 4-fold MAO-A inhibitory activity of phenolic hydroxy group at para-position. A carboxylic group seems to be critical for DBH inhibition and has no effects on MAO.

Quantitative Structure-Activity Relationships for Radical Scavenging Activities of Flavonoid Compounds by GA-MLR Technique

  • Om, Ae-Son;Ryu, Jae-Chun;Kim, Jae-Hyoun
    • Molecular & Cellular Toxicology
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    • 제4권2호
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    • pp.170-176
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    • 2008
  • The quantitative structure-activity relationship (QSAR) of a set of 35 flavonoid compounds presenting antioxidant activity was established by means of Genetic Algorithm-Multiple Linear Regression (GA-MLR) technique. Four-parametric models for two sets of data, the 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical scavenging activity $(R^2=0.788,\;Q^2_{cv}=0.699\;and\;Q^2_{ext}=0.577)$ and scavenging activity of reactive oxgen species (ROS) induced by $H_2O_2 (R^=0.829,\;Q^2_{cv}=0.754\;and\;Q^2_{ext}=0.573)$ were obtained with low external predictive ability on a mass basis, respectively. Each model gave some different mechanistic aspects of the flavonoid compounds tested in terms of the radical scavenging activity. Topological charge, H-bonding complex and deprotonation processes were likely to be involved in the radical scavenging activity.