• Title/Summary/Keyword: structure-bioactivity

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Quantitative-Structure Activity Relationship (QSAR) Model for Abuse-liability Evaluation of Designer Drugs (합성마약류의 의존성 평가를 위한 구조활성상관(QSAR) 모델 적용)

  • Yun, Jaesuk
    • YAKHAK HOEJI
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    • v.58 no.1
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    • pp.53-57
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    • 2014
  • In recent, the abuse of newly-emerging psychoactive drugs, ('designer drugs') is a rapidly increasing problem in Korean society. Quantitative-structure activity relationship (QSAR) is an alternative method to predict bioactivities of new abused compounds. In this study, cathinone-related new designer drugs, 4-methylbuphedrone and 4-methoxy-N,N-dimethylcathinone were tested for prediction of the bioactivity with QSAR model. The bioactivity of 4-methylbuphedrone and 4-methoxy-N,N-dimethylcathinone was similar to those of methylone. These results suggest that the prediction with QSAR model may provide scientific evidences for regulatory decision.

Long-acting Recombinant Human Granulocyte Colony Stimulating Factor (rhG-CSF) with a Trimer-Structured Polyethylene Glycol

  • Jo, Yeong-Woo;Lee, Mee-Yong;Choi, Yun-Kyu;Lee, Sung-Hee;Kang, Soo-Hyoung;Na, Kun;Youn, Yu-Seok;Choi, Eung-Chil
    • Journal of Pharmaceutical Investigation
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    • v.40 no.6
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    • pp.379-386
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    • 2010
  • Mono PEGylated rhG-CSF (PEG-G-CSF) prepared by utilizing unique PEG was purified and characterized by cation-exchange chromatography. A unique, trimer-structured PEG was chosen for PEGylation of rhG-CSF among various PEG moieties. The in-vitro bioactivity, stability, and pharmacokinetics of mono-PEG-G-CSF were examined and compared to those of native rhG-CSF. Mono PEG-G-CSF exhibited reduced in-vitro bioactivity to native rhG-CSF but showed an excellent in-vivo bioactivity and stability. Furthermore, it showed markedly reduced clearance in rats, thereby increasing the biological half-life by about 4.5-fold compared to that of native rhG-CSF. The results suggest that this unique, trimer-structured 23 kDa PEG can provide advantages to improve the bioactivity of therapeutic proteins in clinical use.

SURFACE CHARACTERISTICS AND BIOACTIVITY OF ANODICALLY OXIDIZED TITANIUM SURFACES (양극산화에 의한 티타늄 산화막의 표면 특성 및 생체 활성에 관한 연구)

  • Lee, Sang-Han;Cho, In-Ho
    • The Journal of Korean Academy of Prosthodontics
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    • v.45 no.1
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    • pp.85-97
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    • 2007
  • Statement of problem: Recently, anodic oxidation of cp-titanium is a popular method for treatment of titanium implant surfaces. It is a relatively easy process, and the thickness, structure, composition, and the microstructure of the oxide layer can be variably modified. Moreover the biological properties of the oxide layer can be controlled. Purpose: In this study, the roughness, microstructure, crystal structure of the variously treated groups (current, voltage, frequency, electrolyte, thermal treatment) were evaluated. And the specimens were soaked in simulated body fluid (SBF) to evaluate the effects of the surface characteristics and the oxide layers on the bioactivity of the specimens which were directly related to bone formation and integration. Materials and methods: Surface treatments consisted of either anodization or anodization followed thermal treatment. Specimens were divided into seven groups, depending on their anodizing treatment conditions: constant current mode (350V for group 2), constant voltage mode (155V for group 3), 60 Hz pulse series (230V for group 4, 300V for group 5), and 1000 Hz pulse series (400V for group 6, 460V for group 7). Non-treated native surfaces were used as controls (group 1). In addition, for the purpose of evaluating the effects of thermal treatment, each group was heat treated by elevating the temperature by $5^{\circ}C$ per minute until $600^{\circ}C$ for 1 hour, and then bench cured. Using scanning electron microscope (SEM), porous oxide layers were observed on treated surfaces. The crystal structures and phases of titania were identified by thin-film x-ray diffractmeter (TF-XRD). Atomic force microscope (AFM) was used for roughness measurement (Sa, Sq). To evaluate bioactivity of modified titanium surfaces, each group was soaked in SBF for 168 hours (1 week), and then changed surface characteristics were analyzed by SEM and TF-XRD. Results: On basis of our findings, we concluded the following results. 1. Most groups showed morphologically porous structures. Except group 2, all groups showed fine to coarse convex structures, and the groups with superior quantity of oxide products showed superior morphology. 2. As a result of combined anodization and thermal treatment, there were no effects on composition of crystalline structure. But, heat treatment influenced the quantity of formation of the oxide products (rutile / anatase). 3. Roughness decreased in the order of groups 7,5,2,3,6,4,1 and there was statistical difference between group 7 and the others (p<0.05), but group 7 did not show any bioactivity within a week. 4. In groups that implanted ions (Ca/P) on the oxide layer through current and voltage control, showed superior morphology, and oxide products, but did not express any bioactivity within a week. 5. In group 3, the oxide layer was uniformly organized with rutile, with almost no titanium peak. And there were abnormally more [101] orientations of rutile crystalline structure, and bonelike apatite formation could be seen around these crystalline structures. Conclusion: As a result of control of various factors in anodization (current, voltage, frequency, electrolytes, thermal treatment), the surface morphology, micro-porosity, the 2nd phase formation, crystalline structure, thickness of the oxide layer could be modified. And even more, the bioactivity of the specimens in vitro could be induced. Thus anodic oxidation can be considered as an excellent surface treatment method that will able to not only control the physical properties but enhance the biological characteristics of the oxide layer. Furthermore, it is recommended in near future animal research to prove these results.

Fabrication of Porous 3-Dimensional Ti Scaffold and Its Bioactivity by Alkali Treatment (다공성 3차원 Ti 지지체의 제조 및 알카리처리에 따른 생체활성 평가)

  • An, Sang-Hyun;Kim, Seung-Eon;Kim, Kyo-Han;Yun, Hui-Suk;Hyun, Yong-Taek
    • Korean Journal of Materials Research
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    • v.19 no.7
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    • pp.362-368
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    • 2009
  • Ti scaffolds with a three-dimensional porous structure were successfully fabricated using powder metallurgy and modified rapid prototyping (RP) process. The fabricated Ti scaffolds showed a highly porous structure with interconnected pores. The porosity and pore size of the scaffolds were in the range of 66$\sim$72% and $300\sim400\;\mu$m, respectively. The sintering of the fabricated scaffolds under the vacuum caused the Ti particles to bond to each other. The strength of the scaffolds depended on the layering patterns. The compressive strength of the scaffolds ranged from 15 MPa to 52 MPa according to the scaffolds' architecture. The alkali treatment of the fabricated scaffolds in an aqueous NaOH solution was shown to be effective in improving the bioactivity. The surface of the alkali-treated Ti scaffolds had a nano-sized fibre-like structure. The modified surface showed a good apatite forming ability. The apatite was formed on the surface of the alkali treated Ti scaffolds within 1 day. The thickness of the apatite increased when the soaking time in a simulated body fluid (SBF) solution increased. It is expected that the surface modification of Ti scaffolds by alkali treatment could be effective in forming apatites in vivo and can subsequently enhance bone formation.

Biocompatibility of Nanoscale Hydroxyapatite-embedded Chitosan Films

  • Sun, Fangfang;Koh, Kwangnak;Ryu, Su-Chak;Han, Dong-Wook;Lee, Jaebeom
    • Bulletin of the Korean Chemical Society
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    • v.33 no.12
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    • pp.3950-3956
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    • 2012
  • In order to improve the bioactivity and mechanical properties of hydroxyapatite (HAp), chitosan (Chi) was in situ combined into HAp to fabricate a composite scaffold by a sublimation-assisted compression method. A highly porous film with sufficient mechanical strength was prepared and the bioactivity was investigated by examining the apatite formed on the scaffolds incubated in simulated body fluid. In addition, the cytotoxicity of the HAp/Chi composite was studied by evaluating the viability of murine fibroblasts (L-929 cells) exposed to diluted extracts of the composite films. The apatite layer was assessed using scanning electronic microscopy, inductively coupled plasma-optical emission spectrometry and weight measurement. Composite analysis showed that a layer of micro-sized, needle-like crystals was formed on the surface of the composite film. Additionally, the WST-8 assay after L-929 cells were exposed to diluted extracts of the composite indicated that the HAp/Chi scaffold has good in vitro cytocompatibility. The results indicated that HAp/Chi composites with porous structure are promising scaffolding materials for bone-patch engineering because their porous morphology can provide an environment conductive to attachment and growth of osteoblasts and osteogenic cells.

Fabrication of Hydroxyapatite Ceramics to Mimic the Natural Bone Structure

  • Moon, Dae-Hee;Ryu, Su-Chak
    • Journal of the Korean Ceramic Society
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    • v.48 no.5
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    • pp.390-395
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    • 2011
  • The objective of our study was to produce an imitation bone material consisting of hydroxyapatite with a compact and spongy structure. This study shows the ideal content of $SiO_2$ and the sintering temperature to produce imitation bone that has the mechanical properties of natural bone. On the basis of our determination of the ideal conditions, a compact part was produced and its mechanical properties were tested. A compact part made of 0.5 wt% $SiO_2$ and sintered at $1350^{\circ}C$ showed excellent mechanical properties. The bioactivity of the compact part under this condition was tested, and it was found to be bioactive. The porous part was produced by controlling the powder size, and the dual structure was manufactured by combining the compact and porous parts. A water permeability test confirmed that the dual structure had an interconnected pore structure. Therefore, this dual-body structure is feasible for use in the creation of implants.

Isolation of a Potent Mosquito Repellent from Vitex negundo L.: An Alternative Source of Rotundial

  • Amancharla, Praveen K.;Muthuraj, Patrick S.;Rao, Gottumukkala V.;Singh, Om V.
    • Natural Product Sciences
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    • v.5 no.2
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    • pp.104-106
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    • 1999
  • The chloroform fraction of the aqueous extract of the fresh leaves of Vitex negundo by bioactivity guided isolation yielded a pure compound, rotundial (1) which has shown potent mosquito repellent activity. Using spectral data (UV, IR, $^1H\;&\;^{13}C$ NMR and MS) its structure has been elucidated.

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Effects of Three-dimensional Scaffolds on Cell Organization and Tissue Development

  • Yan Li;Yang, Shang-Tian
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.6 no.5
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    • pp.311-325
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    • 2001
  • Tissue engineering scaffolds play a critical role in regulating the reconstructed human tissue development. Various types of scaffolds have been developed in recent years, including fibrous matrix and foam-like scaffolds. The design of scaffold materials has been investigated extensively. However, the design of physical structure of the scaffold, especially fibrous matrices, has not received much attention. This paper compares the different characteristics of fibrous and foam-like scaffolds, and reviews regulatory roles of important scaffold properties, including surface geometry, scaffold configuration, pore structure, mechanical property and bioactivity. Tissue regeneration, cell organization, proliferation and differentiation under different microstructures were evaluated. The importance of proper scaffold selection and design is further discussed with the examples of bone tissue engineering and stem cell tissue engineering. This review addresses the importance of scaffold microstructure and provides insights in designing appropriate scaffold structure for different applications of tissue engineering.

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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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Isolation and Structure Determination of Streptochlorin, an Antiproliferative Agent from a Marine-derived Streptomyces sp. 04DH110

  • Shin, Hee-Jae;Jeong, Hyun-Sun;Lee, Hyi-Seung;Park, Song-Kyu;Kim, Hwan-Mook;Kwon, Ho-Jeong
    • Journal of Microbiology and Biotechnology
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    • v.17 no.8
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    • pp.1403-1406
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    • 2007
  • An antiproliferative agent, streptochlorin, was isolated from the fermentation broth of a marine actinomycete isolated from marine sediment. Phylogenetic analysis of the 16S rRNA gene sequence indicated that the strain belongs to the genus Streptomyces. Bioactivity guided fractionation of the culture extract by solvent partitioning, ODS open flash chromatography, and reversed-phase HPLC gave a pure compound, streptochlorin. Its structure was elucidated by extensive 2D NMR and mass spectral analyses. Streptochlorin exhibited significant antiproliferative activity against human cultured cell lines.