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검색결과 228건 처리시간 0.027초

A Combined Pharmacophore-Based Virtual Screening, Docking Study and Molecular Dynamics (MD) Simulation Approach to Identify Inhibitors with Novel Scaffolds for Myeloid cell leukemia (Mcl-1)

  • Bao, Guang-Kai;Zhou, Lu;Wang, Tai-Jin;He, Lu-Fen;Liu, Tao
    • Bulletin of the Korean Chemical Society
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    • 제35권7호
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    • pp.2097-2108
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    • 2014
  • Chemical feature based quantitative pharmacophore models were generated using the HypoGen module implemented in DS2.5. The best hypothesis, Hypo1, which was characterized by the highest correlation coefficient (0.96), the highest cost difference (61.60) and the lowest RMSD (0.74), consisted of one hydrogen bond acceptor, one hydrogen bond donor, one hydrophobic and one ring aromatic. The reliability of Hypo1 was validated on the basis of cost analysis, test set, Fischer's randomization method and GH test method. The validated Hypo1 was used as a 3D search query to identify novel inhibitors. The screened molecules were further refined by employing ADMET, docking studies and visual inspection. Three compounds with novel scaffolds were selected as the most promising candidates for the designing of Mcl-1 antagonists. Finally, a 10 ns molecular dynamics simulation was carried out on the complex of receptor and the retrieved ligand to demonstrate that the binding mode was stable during the MD simulation.

침상형 Fe-Co 합금입자에서 조성이 초미세자기장에 미치는 효과 (Effects of Composition on Magnetic Hyperfine Field of Acicular Fe-Co Alloy Particles)

  • 박재윤;박용환
    • 한국자기학회지
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    • 제8권1호
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    • pp.1-5
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    • 1998
  • 침상형 Fe-Co 합금입자는 고밀도 기록용 자성분말로 응용이 기대되는 재료이다. Co 조성변화에 따른 자기적 성질 중 특히 최미세자기장에 미치는 효과를 Mossbauer 분광법과 투과 전자현미경 (TEM), 그리고 X-선 회절실험 등을 이용하여 조사하였다. 침상형 FenCo(n=5,4,3,2) 합금입자는 화학적 공침법으로 제조하였고, silica 코팅 후에 수소분위가에서 환원 처리하였다. 결정구조는 모든 조성 영역에 걸쳐 체심입방구조로서 Co 조성값의 증가와 함께 격자상수 값은 감소하였다. Mossbauer 분광 실험을 통하여 Co 조성 증가에 기인된 Co 원자들의 국부적 분포 변화는 초미세 자기장 값의 감소를 초래하였다.

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영암사지(靈巖寺址) 금당의 목조 가구구조(架構構造) 복원에 관한 연구 (A Research on the Reconstruction of Wooden Frame Structure of Kumdang in Yongamsaji)

  • 윤재신
    • 건축역사연구
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    • 제19권5호
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    • pp.25-47
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    • 2010
  • The purpose of this study is to reconstruct the wooden frame structure of Buddhist temple, Kumdang in Youngamsaji which assumed to be built in the 9th century of Unified Silla Dynasty. The remaining site of Kumdang in Youngamsaji is investigated thoroughly with a particular attention to bay size and column distribution. The five ancient Buddhist temples which were built in the same period also have the same frame type as Youngamsaji Kumdang. These five ancient Buddhist temples and Kumdang in Youngamsaji are meticulously investigated in terms of their bay sizes and measuring modules. The framework schema is devised as a conceptual tool to conjecture wooden frame structures of Buddhist temple. A theoretical differentiation between frame type and frame structure is attempted to formulated a wooden frame structure as a stepping-stone for the reconstruction of traditional wooden building. The wooden frame structure of 9C Kumdang in Youngamsaji mainly follows the oldest Korean wooden pavilion, Muryangsujeon in Busuk temple, with a hip and gable roof. The wooden frame structure of 9C Kumdang in Youngamsaji is reconstructed through 3D computer modeling to such an extent that every wooden components of the structure can be 3D printed. The reconstruction also takes reference from the Cai-Fen system in Yingzao Fashi.

Stress concentration factors test of reinforced concrete-filled tubular Y-joints under in-plane bending

  • Yang, Jun-fen;Yang, Chao;Su, Ming-zhou;Lian, Ming
    • Steel and Composite Structures
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    • 제22권1호
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    • pp.203-216
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    • 2016
  • To study the stress concentration factors (SCFs) of concrete-filled tubular Y-joints subject to in-plane bending, experiments were used to investigate the hot spot stress distribution along the intersection between chord and brace. Three concrete-filled tubular chords forming Y-joints were tested with different reinforcing components, including doubler-plate, sleeve, and haunch-plate reinforcement. In addition, an unreinforced joint was also tested for comparison. Test results indicate that the three different forms of reinforcement effectively reduce the peak SCFs compared with the unreinforced joint. The current research suggests that the linear extrapolation method can be used for chords, whereas the quadratic extrapolation method must be used for braces. The SCF is effectively reduced and more evenly distributed when the value of the axial compression ratio in the chord is increased. Furthermore, the SCFs obtained from the test results were compared to predictions from some well-established SCF equations. Generally, the predictions from those equations are very consistent for braces, but very conservative for concrete-filled chords.

Molecular Characterization and Expression Patterns of Porcine Eukaryotic Elongation Factor 1 A

  • Wang, H.L.;Wang, H.;Zhu, Z.M.;Yang, S.L.;Fen, S.T.;Li, Kui
    • Asian-Australasian Journal of Animal Sciences
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    • 제19권7호
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    • pp.953-957
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    • 2006
  • The eukaryotic elongation factor 1 A (EEF1A) participates in protein synthesis by forming the eEF1A GTP tRNA complex to deliver aminoacyl-tRNA to the A site of ribosomes. This study described cDNA sequences and partial genomic structure of porcine EEF1A1. The porcine EEF1A1 gene encoded a protein with 462 amino acids, which shared complete homology with human, chimpanzee and dog. The temporal expression pattern showed the diversity of EEF1A1 level in mRNA was relatively minor in prenatal embryo skeletal muscle, however, the expression decreased during aging after birth in skeletal muscle of the Chinese Tongcheng pig. The spatial expression patterns indicated that the gene expressed in skeletal muscle, heart, lung, liver, kidney, fat and spleen. In addition, we assigned the gene to porcine chromosome 1 using a radiation hybrid panel.

Production of Citrate by Anaerobic Fungi in the Presence of Co-culture Methanogens as Revealed by 1H NMR Spectrometry

  • Cheng, Yan Fen;Jin, Wei;Mao, Sheng Yong;Zhu, Wei-Yun
    • Asian-Australasian Journal of Animal Sciences
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    • 제26권10호
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    • pp.1416-1423
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    • 2013
  • The metabolomic profile of the anaerobic fungus Piromyces sp. F1, isolated from the rumen of goats, and how this is affected by the presence of naturally associated methanogens, was analyzed by nuclear magnetic resonance spectroscopy. The major metabolites in the fungal monoculture were formate, lactate, ethanol, acetate, succinate, sugars/amino acids and ${\alpha}$-ketoglutarate, whereas the co-cultures of anaerobic fungi and associated methanogens produced citrate. This is the first report of citrate as a major metabolite of anaerobic fungi. Univariate analysis showed that the mean values of formate, lactate, ethanol, citrate, succinate and acetate in co-cultures were significantly higher than those in the fungal monoculture, while the mean values of glucose and ${\alpha}$-ketoglutarate were significantly reduced in co-cultures. Unsupervised principal components analysis revealed separation of metabolite profiles of the fungal mono-culture and co-cultures. In conclusion, the novel finding of citrate as one of the major metabolites of anaerobic fungi associated with methanogens may suggest a new yet to be identified pathway exists in co-culture. Anaerobic fungal metabolism was shifted by associated methanogens, indicating that anaerobic fungi are important providers of substrates for methanogens in the rumen and thus play a key role in ruminal methanogenesis.

Anti-VEGF Therapy with Bevacizumab - Limited Cardiovascular Toxicity

  • Yu, Jing;Cao, Xu-Fen;Zheng, Ye;Zhao, Rong-Cheng;Yan, Li-Qiu;Zhao, Lei;Wang, Jia-Wang
    • Asian Pacific Journal of Cancer Prevention
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    • 제15권24호
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    • pp.10769-10772
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    • 2015
  • Purpose: This analysis was conducted to evaluate cardiovascular toxicity of commonly used anti-VEGF therapeutic agent, bevacizumab, in treating patients with cancer. Methods: Clinical studies evaluating the efficacy and safety of bevacizumab-based regimens on response and safety for patients with cancer were identified using a predefined search strategy, allowing cardiovascular toxicity and other side effects of treatment to be estimated. Results: In bevacizumab based regimens, 4 clinical studies including 282 patients with advanced cancer (including gliomas, cervical, breast and ovarian cancer) were considered eligible for inclusion. These bevacizumab-based regimens included docetaxel, irinitecan and carboplatin. Systematic analysis suggested that, of 282 patients treated by bevacizumab based regimens, hypertension and thrombo-embolism occurred in 2.5% (7/282), while only 3 patients reported cardiovascular events (1.1%). No treatment related death occurred in bevacizumab based treatment. Conclusion: This systemic analysis suggests that bevacizumab based regimens are associated with reasonable and accepted cardiovascular toxicity when treating patients with gliomas, cervical, breast and ovarian cancer.

Heat stress protection in Aspen sp1 transgenic Arabidopsis thaliana

  • Zhu, Bo;Xiong, Ai-Sheng;Peng, Ri-He;Xu, Jing;Zhou, Jun;Xu, Jin-Tao;Jin, Xiao-Fen;Zhang, Yang;Hou, Xi-Lin;Yao, Quan-Hong
    • BMB Reports
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    • 제41권5호
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    • pp.382-387
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    • 2008
  • It is known that the stable protein 1 (SP1) detected in aspen plants remains soluble upon boiling and that sp1 expression in transgenic aspen is resistant to salt stress. Presently, we analyzed the effect of expression of SP1 in Arabidopsis thaliana plants and their response to high temperature stress. After $45^{\circ}C$ for 16 h, relative to wild type plants, sp1 transgenic plants exhibited stronger growth and were better in several physiological properties including chlorophyII, chlorophyII fluorescence, water content, proline content, and malondialdehyde content. These preliminarily results suggest that the over-expression of SP1 may notably enhance heat-tolerant level of transgenic A. thaliana plants.

OsAREB1, an ABRE-binding protein responding to ABA and glucose, has multiple functions in Arabidopsis

  • Jin, Xiao-Fen;Xiong, Ai-Sheng;Peng, Ri-He;Liu, Jin-Ge;Gao, Feng;Chen, Jian-Min;Yao, Quan-Hong
    • BMB Reports
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    • 제43권1호
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    • pp.34-39
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    • 2010
  • Expression patterns of OsAREB1 revealed that expression of OsAREB1 gene can be induced by ABA, PEG and heat. Yeast one-hybrid assay demonstrated it can bind to ABA-responsive element (ABRE), which was found in most stress-induced genes. Transgenic Arabidopsis over-expressing OsAREB1 had different responses to ABA and glucose compared to wild-type plants, which suggest OsAREB1 might have a crucial role in these two signaling pathways. Further analysis indicate that OsAREB1 have multiple functions in Arabidopsis. First, OsAREB1 transgenic plants had higher resistance to drought and heat, and OsAREB1 up-regulated the ABA/stress related gene such as RD29A and RD29B. Second, it delayed plant flowering time by down-regulating the expression of flowering-related genes, such as FT, SOC1, LFY and AP1. Due to the dates, OsAREB1 may function as a positive regulator in drought/heat stresses response, but a negative regulator in flowering time in Arabidopsis.

Is the Arch Index Meaningful

  • Lung, Chi-Wen;Yang, Sai-Wei;Hsieh, Lin-Fen
    • 한국운동역학회지
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    • 제19권2호
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    • pp.187-196
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    • 2009
  • The foot type is classified into normal, high or low arch according to either foot print or medial longitudinal arch (MLA) height. Plantar fasciitis, heel pain, Achilles tendinitis, stress fracture, metatarsalgia, knee pain, shin splint pain, and etc are common foot disorders and associate to the foot type. The purpose of this study was to evaluate several suggested bony inclination used to classified the abnormal foot and if the arch index (AI) was correlated with foot morphology. Lateral view and dorso-plantar view of radiographic images and flatbed scanner measurements obtained from 57 college students were analyzed. Results showed that AI measured in this study was higher than Caucasian Americans and European, but similar with African. The ethnic origin could influent the AI distribution. The AI provided a simple quantitative means of assessing the structure of lateral and medial longitudinal arches. The correlation coefficients of true bone height with AI could be further improved by normalized foot width rather than foot length. AI also demonstrated as a good indicator of inclination between calcaneus-fifth metatarsal (CalM5) and calcaneus-first metatarsal (CalX), it is a good means to classify the foot type.