• 제목/요약/키워드: bound features

검색결과 91건 처리시간 0.031초

Potential Functional Role of Phenethylamine Derivatives in Inhibiting Dopamine Reuptake: Structure-Activity Relationship

  • Dooti Kundu;Anlin Zhu;Eunae Kim;Suresh Paudel;Choon-Gon Jang;Yong Sup Lee;Kyeong-Man Kim
    • Biomolecules & Therapeutics
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    • 제31권1호
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    • pp.108-115
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    • 2023
  • Numerous psychotropic and addictive substances possess structural features similar to those of β-phenethylamine (β-PEA). In this study, we selected 29 β-PEA derivatives and determined their structure-activity relationship (SAR) to their ability to inhibit dopamine (DA) reuptake; conducted docking simulation for two selected compounds; and identified their potential functionals. The compounds were subdivided into arylethylamines, 2-(alkyl amino)-1-arylalkan-1-one derivatives and alkyl 2-phenyl-2-(piperidin-2-yl)acetate derivatives. An aromatic group, alkyl group, and alkylamine derivative were attached to the arylethylamine and 2-(alkyl amino)-1-arylalkan-1-one derivatives. The inhibitory effect of the compounds on dopamine reuptake increased in the order of the compounds substituted with phenyl, thiophenyl, and substituted phenyl groups in the aromatic position; compounds with longer alkyl groups and smaller ring-sized compounds at the alkylamine position showed stronger inhibitory activities. Docking simulation conducted for two compounds, 9 and 28, showed that the (S)-form of compound 9 was more stable than the (R)-form, with a good fit into the binding site covered by helices 1, 3, and 6 of human dopamine transporter (hDAT). In contrast, the (R, S)-configuration of compound 28 was more stable than that of other isomers and was firmly placed in the binding pocket of DAT bound to DA. DA-induced endocytosis of dopamine D2 receptors was inhibited when they were co-expressed with DAT, which lowered extracellular DA levels, and uninhibited when they were pretreated with compound 9 or 28. In summary, this study revealed critical structural features responsible for the inhibition of DA reuptake and the functional role of DA reuptake inhibitors in regulating D2 receptor function.

T-세포 항원 수용체 매개 신호전달 조절자로서 돼지 CD45RO 구조특성 (Key Structural Features of PigCD45RO as an Essential Regulator of T-cell Antigen Receptor Signaling)

  • 채한화;임다정
    • 한국산학기술학회논문지
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    • 제20권9호
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    • pp.211-226
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    • 2019
  • 백혈구 공통 항원인 돼지 CD45는 PTPRC 유전자에 암호화 되어 있으며, CD45엑손의 선택적 스플라이싱에 따라 다른 T-세포에서 발현되는 티로신 인산분해효소이다. CD45는 기질인 TCR의 $CD3{\zeta}$ 사슬, Lck, Fyn, Zap-70 kinase의 인산화된 티로신에서 인산을 분해하여 T-세포 항원 수용체(TCR) 매개 신호전달을 조절한다. CD45의 조절이상은 많은 면역 질환과 관련이 있어서, CD45는 면역약물 개발에 표적이 되어왔다. TCR 신호전달의 조절효과를 가진 주요 구조적 특징을 특성화하기 위해, 사람의 알려진 CD45 구조를 템플릿으로 적용하여 돼지 CD45RO(가장 작은 CD45 isoform)의 단백질 구조와 예측된 돼지 CD45RO 모델구조에 $CD3{\zeta}$ 사슬의 ITAM(REEpYDV)를 도킹하여 CD45RO/ITAM 펩타이드 결합구조를 예측하였다. 돼지 CD45RO의 구조적 특징은 세포외영역의 구조견고성과 세포질 내 티로신 인산분해효소 도메인의 KNRY와 PTP signature 기능모티프(두 기능 모티프는 ITAM 펩타이드 결합부위의 좁은 입구로 역할)에 있었다. 주요 구조특성은 돼지 CD45RO-ITAM 펩타이드 결합구조 안정성과 결합친화력을 조절하면서 기질 선택성에 영향을 준다. 돼지 CD45RO의 구조적 특성은 T-세포에 특이적인 면역 조절제를 탐색하는 데에 적용될 것이다.

The Schizosaccharomyces pombe Proteins that Bind to the Human HnRNPA1 Winner RNA

  • Kim, Jeong-Kook
    • Journal of Microbiology
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    • 제35권4호
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    • pp.327-333
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    • 1997
  • Although extensively characterized in human cells, no heterogeneous nuclear ribonucleoprotein(hnRNP) has been found in the fission yeast Schizosaccharomyces pombe which is amenable to genetic studies and more similar to mammals than Saccharomyces cerevisiae is in terms of RNA processing. As a first step to characterize hnRNPs from S. pombe, attempt was made to find human hnRNP A1 homologs from S. pombe. The RNA molecule (A1 winner) containing the consensus high-affinity hnRNP A1 binding site (UAGGGA/U) was synthesized in vitro and used in an ultraviolet(UV) light-induced protein-RNA cross-linking assay. A number of S, pombe proteins bound to the A1 winner RNA. An approximately 50-kDa protein(p50) cross-linked more efficiently to the A1 winner RNA than other proteins. The p50 protein did not cross-link to a nonspecific RNA, but rather to the A1-5’ SS RNA in which the consensus 5’ splice junction sites of S. pombe introns were abolished. This suggests that the p50 protein, however, did not bind to the single-stranded DNA to shich the human hnRNP A1 could bind and be eluted with 0.5M NaCl. Further analysis should reveal more features of this RNA-binding protein.

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췌장의 고형성 유두상 암종의 세침흡인 세포학적 소견 (Fine Needle Aspiration Cytology of Solid and Papillary Neoplasm of the Pancreas -Report of a Case-)

  • 조미연;이광길;이기범;정현주;정우희
    • 대한세포병리학회지
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    • 제1권1호
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    • pp.85-92
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    • 1990
  • We present the cytologic features of a case of solid and papillary neoplasm of the pancreas. Cytologically, the tumor was composed of a monotonous population of polygonal cells containing eccentrically located round nuclei with one or two distinct small nucleoli and a finely stippled chromatin pattern. The tumor cells were similar to those of the islet cell tumor and showed isolated loosely aggregated and solid sheets or large cell clumps. The large cell clumps revealed a branching papillary structure containing fibrovascular central core, which is characteristic histologic feature of solid and papillary neoplasm of the pancreas. This case was confirmed by tissue examination including histochemical, immunohistochemical and electron microscopical studies. Ultrastructurally, the tumor cells contained a few membrane- bound electron dense granules.

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멀티레이트 샘플치 시스템: 최적 디지털 재설계 기법 (Multirate Sampled-Data Control System: Optimal Digital Redesign Approach)

  • 김도완;박진배;장권규;추영훈
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 2004년도 학술대회 논문집 정보 및 제어부문
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    • pp.708-710
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    • 2004
  • This paper studies a multirate sampled-data control for LTI systems by using the digital redesign (DR) method. In this note, to well tackle the problem associated with both the state matching and the stabilization, our nobel strategy is to minimize the linear quadratic cost function. The main features of the proposed method are that i) the delta-operator-based descretization method is applied to improve the state-matching performance in the fast sampling limit and/or the large input multiplicity; ii) the proposed multirate control scheme can improve the state-matching performance in the long sampling limit; iii) some sufficient conditions that guarantee the stability of the closed-loop discrete-time system and provide a guarantee cost for the cost function can be formulated in the LMIs format; and iv) an optimal sampled-data controller in the sense of minimizing the upper bound of the cost function is also given by means of an LMI optimization procedure.

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엔트로피에 기반한 영상분할을 이용한 영상검색 (Image Retrieval Using Entropy-Based Image Segmentation)

  • 장동식;유헌우;강호증
    • 제어로봇시스템학회논문지
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    • 제8권4호
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    • pp.333-337
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    • 2002
  • A content-based image retrieval method using color, texture, and shape features is proposed in this paper. A region segmentation technique using PIM(Picture Information Measure) entropy is used for similarity indexing. For segmentation, a color image is first transformed to a gray image and it is divided into n$\times$n non-overlapping blocks. Entropy using PIM is obtained from each block. Adequate variance to perform good segmentation of images in the database is obtained heuristically. As variance increases up to some bound, objects within the image can be easily segmented from the background. Therefore, variance is a good indication for adequate image segmentation. For high variance image, the image is segmented into two regions-high and low entropy regions. In high entropy region, hue-saturation-intensity and canny edge histograms are used for image similarity calculation. For image having lower variance is well represented by global texture information. Experiments show that the proposed method displayed similar images at the average of 4th rank for top-10 retrieval case.

실시간 시스템에서 성능 향상 기법 (Enhanced Technique for Performance in Real Time Systems)

  • 김명준
    • 한국IT서비스학회지
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    • 제16권3호
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    • pp.103-111
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    • 2017
  • The real time scheduling is a key research area in high performance computing and has been a source of challenging problems. A periodic task is an infinite sequence of task instance where each job of a task comes in a regular period. The RMS (Rate Monotonic Scheduling) algorithm has the advantage of a strong theoretical foundation and holds out the promise of reducing the need for exhaustive testing of the scheduling. Many real-time systems built in the past based their scheduling on the Cyclic Executive Model because it produces predictable schedules which facilitate exhaustive testing. In this work we propose hybrid scheduling method which combines features of both of these scheduling algorithms. The original rate monotonic scheduling algorithm didn't consider the uniform sampling tasks in the real time systems. We have enumerated some issues when the RMS is applied to our hybrid scheduling method. We found the scheduling bound for the hard real-time systems which include the uniform sampling tasks. The suggested hybrid scheduling algorithm turns out to have some advantages from the point of view of the real time system designer, and is particularly useful in the context of large critical systems. Our algorithm can be useful for real time system designer who must guarantee the hard real time tasks.

Dynamic Home Circuit Construction for Datacenter Networks Using LOBS-HC Ring

  • Tang, Wan;Yi, Bo;Yang, Ximi;Li, Jingcong
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • 제9권5호
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    • pp.1606-1623
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    • 2015
  • Optical switching will be applied in datacenter networks because electronic switching is costly and power-consuming. In this paper, considering the ring-based interconnection using optical switching in the core of a datacenter, we study the home circuit (HC) construction for the labeled optical burst switching with home circuit (LOBS-HC), a new paradigm trying to share wavelengths among the HCs from the same source. In particular, aiming to construct HCs dynamically and properly, a scheme named optimal path matching and symmetric HC matching (OPM-SHM) is proposed. The main idea of OPM-SHM is to dynamically construct HCs by sharing wavelength(s) not only among the same-source HCs but also with symmetric HCs which have different sources other than the original LOBS-HC features. The simulation results demonstrate that OPM-SHM achieves better performance than some other methods in terms of burst loss rate and wavelength utilization of physical links. More specially, it maintains good load balancing for the datacenter network using an LOBS-HC ring. In addition, due to the symmetric feature of SHM, the proposed scheme can decrease the upper bound of the average hop count of the routing paths to half of the ring size.

A HIGHLY DISTURBED MOLECULAR CLOUD S287: I. CO OBSERVATIONS AND KINEMATICS

  • LEE YOUNGUNG
    • 천문학회지
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    • 제27권2호
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    • pp.147-158
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    • 1994
  • We have obtained high angular resolution maps toward a molecular cloud associated with an HII region S287 and studied mainly kinematics of the cloud. The mapped region is 1.5 square degrees of the cloud in the transitions of $^{12}CO\;and\;^{13}CO\;J=1-0$. We have obtained a large range of mass, $1.3\times10^4M_\bigodot$, to $7.2{\times}10^4M_{\bigodot}$ using three different techniques. The S287 molecular cloud shows a very disturbed feature: velocity field of the cloud is very complicated, and shows several arcs. It is likely that the southern part of cloud is being disrupted by the residing HII region S287 as well as external perturbing sources. In addition to an HII region, five bipolar outflows are also disturbing the molecular gas significantly. The large virial mass and the very disturbed morphology may reflect the fact that the cloud is not gravitationally bound system, as in the case of nearby giant molecular cloud (GMC) G216-2.5. The several arc structure and the filamentary features are possibly driven by external strong stellar winds, and these external perturbing sources may be driving the second generation of star-forming activities on the edges of the S287 molecular cloud.

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Design, Synthesis and Preliminary Biological Evaluation of a Biotin-S-S-Phosphine Reagent

  • Kang, Dong W.;Kim, Eun J.
    • Bulletin of the Korean Chemical Society
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    • 제35권2호
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    • pp.383-391
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    • 2014
  • Biotin-S-S-Phosphine was designed and synthesized as a potential tool for a proteomic study of O-GlcNAcmodified proteins. This reagent features a disulfide linker between a triarylphosphine moiety, which allows selective conjugation to azide-containing proteins, and a biotin moiety that can allow easy isolation through its strong affinity toward avidin-coated solid beads. The disulfide linkage within this reagent can allow the easy release of the bound molecules of interest, which is difficult to achieve when a biotin:avidin pair is used alone, by reducing the disulfide bond of the reagent with DTT. Preliminary in vitro biological assays with azidelabeled and unlabeled cell lysates and a pure protein Nup62 showed that the Biotin-S-S-Phosphine reagent is highly reactive toward the free thiol groups of proteins. When a molecular tool with a disulfide linker is applied to the enrichment of the molecules of interest from other species, it is important to block the free-thiols of the sample using exhaustive alkylation prior to the Staudinger ligation reactions to restore the bioorthogonal nature of this reaction.