• Title/Summary/Keyword: structure-activity relationship

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Synthesis and Evaluation of Antitumor Activity

  • Jin, Guang-Zhu;Song, Gyu-Yong;Zheng, Xiang-Guo;Kim, Yong;Sok, Dai-Eun;Ahn, Byung-Zun
    • Archives of Pharmacal Research
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    • v.21 no.2
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    • pp.198-206
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    • 1998
  • Fourty eight derivatives of 2-(1-oxyalkyl)-1,4-dioxy-9,10-anthraquinone were synthesized, and their antitumor activity was evaluated. On the whole, 2-(1-hydroxyalkyl)-1,4-dihydroxy-9,10-anthraquinones (DHAQ=1,4-dihydroxy-9,10-anthraquinone) showed stronger cytotoxic activity against L1210 cells than 2-(l-hydroxyalkyl)-1,4-dimethoxy-9,10-anthraquinones(DMAQ =1,4-dimethoxy-9,10-anthraquinone), implying that free hydroxy groups at C-1 and C-4 of the anthraquinone structure are necessary for the cytotoxic activity. The bioactivity of 2-(lhydroxyalkyl)-DHAQ derivatives differed according to the size of alkyl group at C-1;while the elongation of alkyl group over 7 carbon atoms failed to enhance the bioactivity, the derivatives possessing alkyl moiety of 1-6 carbon atoms showed an increase in the cytotoxicity and the antitumor activity in Sarcoma-180; 2-hydroxymethyl-DHAQ ($ED_{50}$, $15\mu\textrm{g}$/ml; T/C, 125%), 2-(1 -hydroxyethyl)-DHAQ($1.9{\mu}g/ml;139.2%)$;, 2-(1-hydroxypropyl)-DHAQ ($7.2{\mu}g$/ml; 135.1%), 2-(1-hydroxybutyl)-DHAQ ($10.2{\mu}g/ml; 125.3%)$, 2-(1-hydroxypentyl)-DHAQ ($23.7{\mu}g/ml; 110.1%$). and 2-(1-hydroxyhexyl)-DHAQ ($58{\mu}g/ml;108%$). Next, 2-(1-Hydroxyalkyl)-DHAQ derivatives were acetylated to produce 2-(1-acetoxyalkyl)-DHAQ analogues. Although the acetylation somewhat enhanced the cytotoxicity, but not the antitumor action. In addition, the presence of phenyl group at $C-1^{l}$ enhanced the cytotoxicity and the T/C value, compared to alkyl groups of same size; 2-(1-hydroxy-1-phenyl)-DHAQ ($ED_{50}$, $5.6{\mu}g$, T/C, 137%).

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Functions and values of sulfated polysaccharides from seaweed

  • D. P. Nagahawatta;N. M. Liyanage;Thilina U. Jayawardena;Fengqi Yang;H. H. A. C. K. Jayawardena;M. J. M. S. Kurera;Fahe Wang;Xiaoting Fu;You-Jin Jeon
    • ALGAE
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    • v.38 no.4
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    • pp.217-240
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    • 2023
  • Sulfated polysaccharides (SPs) isolated from seaweed have emerged as remarkable bioactive compounds with a wide spectrum of biological activities and have substantial value in the scientific and industrial domains. The current study explores the diverse biological activities of SPs and their relationship with their structures. This aids in an in-depth examination of the multifaceted biological activities of SPs, including anticoagulant, anti-inflammatory, antiviral, antioxidant, and immunomodulatory properties, which underpin their potential health benefits. Furthermore, the current study explores the complicated properties of SPs, with their extraction methodologies and techniques for precise characterization. Elucidation of the commercial significance of SPs derived from brown, red, and green seaweed by highlighting their potential applications has emphasized their importance in human well-being. Further, this review emphasizes the challenges needed to overcome research and industrial innovations for SPs. Collaboration among researchers, industry stakeholders, and regulatory authorities can overcome these challenges and elevate the potential of SPs to revolutionize industries such as pharmaceuticals, cosmeceuticals, food, and biotechnology.

Conformation and Biological Activity of the Neuropeptide $\gamma$ (Neuropeptide $\gamma$의 구조 및 생리활성)

  • Ku Hee-Jung;SEO Jung-Kil;KIM Eun-Hi;HUH Min-Do;CHUNG Joon-Ki;PARK Jang-Su;KANG Shin-Won;PARK Nam Gyu
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.30 no.2
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    • pp.244-251
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    • 1997
  • The relationship between structure and biological activity was studied on the three neuropeptides (mammalian, trout- and goldfish-neuropeptide $\gamma$) that were syntheized by the solid-phase method. Circular dichroism spectra showed that mammalian, trout- and goldfish-neuropeptide $\gamma$ adopted an unordered structure in buffer solution. In the-presence of neutral and acidic liposomes, mammalian and trout-neuropeptioe $\gamma$ also took a random structure. However, goldfish-neuropeptide $\gamma$ took an $\alpha-helical$ structure in acidic liposomes. The intestinal motility response was investigated with carp intestines, guinea-pig ileums and rat duodenums. In case of carp intestine, contractile activity was as follows : goldfish-neuropeptide $\gamma\simeq$ trout-neuropeptide $\gamma>$ mammalian-neuropeptide $\gamma$, On the other hand, the contractile activity of mammalian-neuropeptide $\gamma$ was more potent than trout- and goldfish-neuropeptide $\gamma$ in the guinea-pig ileums and rat duodenums. These results suggest that neuropeptide $\gamma$ show the species-specific activity.

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Assessment of quantitative structure-activity relationship of toxicity prediction models for Korean chemical substance control legislation

  • Kim, Kwang-Yon;Shin, Seong Eun;No, Kyoung Tai
    • Environmental Analysis Health and Toxicology
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    • v.30 no.sup
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    • pp.7.1-7.10
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    • 2015
  • Objectives For successful adoption of legislation controlling registration and assessment of chemical substances, it is important to obtain sufficient toxicological experimental evidence and other related information. It is also essential to obtain a sufficient number of predicted risk and toxicity results. Particularly, methods used in predicting toxicities of chemical substances during acquisition of required data, ultimately become an economic method for future dealings with new substances. Although the need for such methods is gradually increasing, the-required information about reliability and applicability range has not been systematically provided. Methods There are various representative environmental and human toxicity models based on quantitative structure-activity relationships (QSAR). Here, we secured the 10 representative QSAR-based prediction models and its information that can make predictions about substances that are expected to be regulated. We used models that predict and confirm usability of the information expected to be collected and submitted according to the legislation. After collecting and evaluating each predictive model and relevant data, we prepared methods quantifying the scientific validity and reliability, which are essential conditions for using predictive models. Results We calculated predicted values for the models. Furthermore, we deduced and compared adequacies of the models using the Alternative non-testing method assessed for Registration, Evaluation, Authorization, and Restriction of Chemicals Substances scoring system, and deduced the applicability domains for each model. Additionally, we calculated and compared inclusion rates of substances expected to be regulated, to confirm the applicability. Conclusions We evaluated and compared the data, adequacy, and applicability of our selected QSAR-based toxicity prediction models, and included them in a database. Based on this data, we aimed to construct a system that can be used with predicted toxicity results. Furthermore, by presenting the suitability of individual predicted results, we aimed to provide a foundation that could be used in actual assessments and regulations.

A Study on Development of Owner's Standard Specification Structure for Modular Building (모듈러 전문 시방서 개발을 위한 체계 구축)

  • Nam, Sunghoon;Park, Honggeon;Kim, Kyungrai
    • Korean Journal of Construction Engineering and Management
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    • v.20 no.3
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    • pp.12-21
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    • 2019
  • Specification is an important document for securing safe construction and improving quality as well as the contract document. Currently, the specifications used in modular buildings in Korea are only the construction specification, and most of the contents are used by borrowing the standard specifications of the building, so the contents of the modular buildings can not be reflected and it is contents are similar to the guideline book. The current status of domestic specification for modular buildings is affecting the quality of modular buildings. Therefore, we analyze activity through monitoring the modular process of modular buildings and analyze systematically relationship by applying IDEF modeling with analyzed activity. As result this paper proposes a structure of special specification specialized in modular building through generalization. The major classifications were divided into three stages : factory construction, transportation, and on-site installation. The specification structure was divided into 32 types of construction items from the floor slab assembly of the factory production to the joint finish of the on site installation in accordance with the opinion of experts.

Development of Work Breakdown Structure and Analysis of Precedence Relations by Activity in School Facilities Construction Work (학교시설 건설공사의 작업분류체계 구축 및 단위작업별 선후행 관계 분석)

  • Bang, Jong-Dae;Sohn, Jeong-Rak
    • Land and Housing Review
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    • v.8 no.3
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    • pp.189-200
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    • 2017
  • The work breakdown structure and the precedence relations by work activity are very important because they are the basic data for estimating the construction duration in the construction work. However, there is no standard to accurately estimate the construction duration since the size of the school facilities construction is smaller than the general construction work. Therefore, some schools are unable to open in March or September and the delay of the construction duration can cause damage to the students. To solve this problem, this study developed a work breakdown structure of school facilities construction work and analyzed the precedence relations by work activities. The work breakdown structure of the school facilities construction is composed of three steps. The operations corresponding to level 1 and level 2 are as follows. (1) 2 preparatory work categories; preparation period and temporary construction. (2) 17 architectural work categories; temporary construction, foundation & pile work, reinforced concrete work, steel roof work, brick work, plaster work, tile work, stone work, waterproof construction, wood work, interior construction, floor work, metal work, roof work, windows construction, glazing work and paint construction. (3) 7 mechanic and fire work categories; outside trunk line work, plumbing work, air-conditioning equipment work, machine room work, city gas plumbing work, sanitation facilities and inspection & test working. (4) 4 civil work categories; wastewater work, drainage work, pavement work and other work. (5) 1 landscaping work categories; planting work. The work breakdown structure was derived from interviews with experts based on the milestones and detailed statements of existing school facilities. The analysis of precedence relations by school facilities work activity utilized PDM(Precedence Diagramming Method)which does not need a dummy and the relations were applied using FS(Finish to Start), FF(Finish to Finish), SS(Start to Start), SF(Start to Finish). The analysis of this study shows that if one work activity is delayed, the entire construction duration may be delayed because the majority of the works are FS relations. Therefore, it is necessary to use the Lag at the appropriate time to estimate the standard construction duration of the school facility construction. Lag is a term used only in the PDM method and it is used to define the relationship between the predecessor and the successor in creating the network milestone. And it means the delay time applied to the two work activities. The results of this study can reasonably estimate the standard construction duration of school facilities and it will contribute to the quality of the school facilities construction.

A Comparison between Francesco Borromini's Architectural and Structural Design - Focusing on the Churches of San Carlo alle Quattro Fontane and Sant'Ivo alla Sapienza -

  • Dacarro, Fabio
    • Korean Institute of Interior Design Journal
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    • v.25 no.5
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    • pp.82-92
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    • 2016
  • This study aims to contribute to better understanding of the Baroque architect Francesco Borromini, and, as a consequence, of the Baroque period itself. Recognizing that historical studies have focused mainly on the architectural (i.e., formal) aspects of Borromini's work and largely neglected the technical (i.e., structural) issues, and that the relationship between the architectural and structural worlds in Borromini's activity has consequently never been studied in depth, this research set as its objective the study of this relationship, and has developed a comparative analysis of Borromini's attitude toward architectural problems and questions of tectonics. The investigation has been conducted on two meaningful case-studies in Rome: San Carlo alle Quattro Fontane and Sant'Ivo alla Sapienza. The analysis has highlighted a strong dichotomy between Borromini as an architectural designer and Borromini as a structural designer. While Borromini's design is experimental, innovative, and nonconformist, his structures are cautious, tested, and validated by trustworthy tradition. His unprejudiced use of constructive solutions from different historical periods, regions, and cultural areas allows the definition of his approach to tectonics as "constructive eclecticism." The analysis has also highlighted the independence between the architectural and structural aspects of his work, as the two do not interfere with or limit each other. The dichotomy between form and structure in Borromini's work may reflect the "theatrical" tendency of Baroque culture, where what is shown on the face is often different from what is hidden behind.

The Emergence of Competitiveness in Korea-China Ship Distribution Industry

  • Lee, Jae-Sung;Kim, Yung-Keun;Noh, Hyun-Soo
    • Journal of Distribution Science
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    • v.13 no.7
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    • pp.11-18
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    • 2015
  • Purpose - This paper reviews the changes in the ship export and import structure between Korea and China. It utilizes the comparative advantage trade theory to analyze time-series statistical data from the market share index, revealed comparative advantage index (RCA), and trade specialization index(TSI). Research design, data, and methodology - Based on their economic phases, both Korea and China have similar country characteristics. The purpose of this research is to understand the two country's trade structures to fortify the Korea-Sino economic relationship including verifying what is working and what is not. Results - Based on the analysis, bilateral economic activity to achieve a plus trade stimulus environment should be realized in the long run. Both countries should establish guarantee-free trade negotiations and boundaries instead of various non-tariff barriers. Conclusion - Reviewing the research, a sound competitive relationship can be grown for mutual benefit including export market diversification in the near future. The review of the Korea-Sino ship industry is keenly important and investigative research about it is timely because it is a major industry in each country.

The effective model of the human Acetyl-CoA Carboxylase inhibition by aromatic-structure inhibitors

  • Minh, Nguyen Truong Cong;Thanh, Bui Tho;Truong, Le Xuan;Suong, Nguyen Thi Bang;Thao, Le Thi Xuan
    • Journal of IKEEE
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    • v.21 no.3
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    • pp.309-319
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    • 2017
  • The research investigates the inhibition of fatty acid biosynthesis of the human Acetyl-CoA Carboxylase enzyme by the aromatic-structure inhibitors (also known as ligands) containing variables of substituents, contributing an important role in the treatment of fatty-acid metabolic syndrome expressed by the group of cardiovascular risk factors increasing the incidence of coronary heart disease and type-2 diabetes. The effective interoperability between ligand and enzyme is characterized by a 50% concentration of enzyme inhibitor ($IC_{50}$) which was determined by experiment, and the factor of geometry structure of the ligands which are modeled by quantum mechanical methods using HyperChem 8.0.10 and Gaussian 09W softwares, combining with the calculation of quantum chemical and chemico-physical structural parameters using HyperChem 8.0.10 and Padel Descriptor 2.21 softwares. The result data are processed with the combination of classical statistical methods and modern bioinformatics methods using the statistical softwares of Department of Pharmaceutical Technology - Jadavpur University - India and R v3.3.1 software in order to accomplish a model of the quantitative structure - activity relationship between aromatic-structure ligands inhibiting fatty acid biosynthesis of the human Acetyl-CoA Carboxylase.

Stereoselective Biotransformation of Timosaponin A-III by Saccharomyces cerevisiae

  • Hu, Yong-Mei;Yu, Zhi-Ling;Fong, Wang-Fun
    • Journal of Microbiology and Biotechnology
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    • v.21 no.6
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    • pp.582-589
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    • 2011
  • Bioconversion of timosaponin A-III (TA-III), one of the major steroidal saponins isolated from the rhizomes of Anemarrhenae asphodeloides Bunge (Liliaceae), was investigated in Saccharomyces cerevisiae. Five bioconversion products, denoted compounds 2-6, were obtained. Biotransformation metabolite 2 was a stereoisomer of TAIII with a specific isotype F-ring and ${\beta}$-ranged $CH_3$-21, which rarely occurs in nature. The structure of 2 was elucidated by extensive spectroscopic analysis (H-H COSY, HSQC, HMBC), as well as by high-resolution mass spectral analysis. The growth inhibitory activity of compounds 1-6 was assayed against four human cancer cell lines, HepG2, H-1299, HT-29, and HCT-116. Compounds 1 and 2 obviously inhibited the growth of the four types of cancer cells with $IC_{50}$ values being less than 19${\mu}M$. A structure-activity relationship is discussed, and the spirostane-ring F in compounds 1 and 2 appears to be the critical bioactive moiety for the cell growth inhibitory property.