• Title/Summary/Keyword: virtual cell

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Identification and Pharmacological Analysis of High Efficacy Small Molecule Inhibitors of EGF-EGFR Interactions in Clinical Treatment of Non-Small Cell Lung Carcinoma: a Computational Approach

  • Gudala, Suresh;Khan, Uzma;Kanungo, Niteesh;Bandaru, Srinivas;Hussain, Tajamul;Parihar, MS;Nayarisseri, Anuraj;Mundluru, Hema Prasad
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.18
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    • pp.8191-8196
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    • 2016
  • Inhibition of EGFR-EGF interactions forms an important therapeutic rationale in treatment of non-small cell lung carcinoma. Established inhibitors have been successful in reducing proliferative processes observed in NSCLC, however patients suffer serious side effects. Considering the narrow therapeutic window of present EGFR inhibitors, the present study centred on identifying high efficacy EGFR inhibitors through structure based virtual screening strategies. Established inhibitors - Afatinib, Dacomitinib, Erlotinib, Lapatinib, Rociletinib formed parent compounds to retrieve similar compounds by linear fingerprint based tanimoto search with a threshold of 90%. The compounds (parents and respective similars) were docked at the EGF binding cleft of EGFR. Patch dock supervised protein-protein interactions were established between EGF and ligand (query and similar) bound and free states of EGFR. Compounds ADS103317, AKOS024836912, AGN-PC-0MXVWT, GNF-Pf-3539, SCHEMBL15205939 were retrieved respectively similar to Afatinib, Dacomitinib, Erlotinib, Lapatinib, Rociletinib. Compound-AGN-PC-0MXVWT akin to Erlotinib showed highest affinity against EGFR amongst all the compounds (parent and similar) assessed in the study. Further, AGN-PC-0MXVWT brought about significant blocking of EGFR-EGF interactions in addition showed appreciable ADMET properties and pharmacophoric features. In the study, we report AGN-PC-0MXVWT to be an efficient and high efficacy inhibitor of EGFR-EGF interactions identified through computational approaches.

Application model research on visualizing anti-inflammation effects by using the virtual cell (가상세포를 활용한 항염증 효능 응용모델 연구)

  • Kim, Chul;Yea, Sang-Jun;Kim, Jin-Hyun;Kim, Sang-Kyun;Jang, Hyun-Chul;Kim, An-Na;Nam, Ky-Youb;Song, Mi-Young
    • Herbal Formula Science
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    • v.18 no.2
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    • pp.227-239
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    • 2010
  • Objective : The purpose of this study was to develop the simulator which can analyze the anti-inflammatory effects of herbs based on e-cell, or the virtual cell. Method : We have ensured the medical herbs and its active compounds by investigating the oriental medicine records and NBCI(Biomedicine database). Also we have developed the web-based search system for confirming database related to anti-inflammation. We have researched the cell signal pathway related with inflammatory response control and established the mathematical model of herb interaction on selected signal pathway in e-cell. Finally we have developed the prototype which can confirm the result of this model visibly. Results : We constructed the database of 62 cases of anti-inflammatory active compounds in 61 cases of medical herbs which have been known anti-inflammation effects in the paper, 16 cases of inflammatory factors, 10 cases of signal pathways related with inflammatory response and 6,834 cases of URL(Uniform Resource Locator) of referenced papers. And we embodied the web-based research system, which can research this database. User can search basic and detailed information of medical plants related with anti-inflammatory by using information system. And user can acquire information on an active compounds, a signal pathway and a link URL of related paper. Among investigated ten pathways, we selected NF-${\kappa}B$, which plays important role in activation of immune system, and we searched the mechanisms of actions of proteins which could be components of this pathway. We reduced total network into IKK-$I{\kappa}B$ - NF-${\kappa}B$, and completed mathematic modeling by using ordinary differential equations and response variables of $I{\kappa}B-NF-{\kappa}B$ signaling model network which is suggested by Baltimore Group. We designed OED(Ordinary Differential Equation) for response of IKK, $I{\kappa}B$, $NF-{\kappa}B$ in e-cell's cytoplasm and nucleus, and measured whether an active compound of medicinal plants which is inputted by an user would have a anti-inflammation effects in obedience to change in concentration over time. The proposed model was verified by using experimental results of the papers which are listed on NCBI.

Optical Simulation Study on Indoor Organic Photovoltaics with Textured Electrodes towards Self-powered Photodetector

  • Biswas, Swarup;Kim, Hyeok
    • Journal of Sensor Science and Technology
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    • v.28 no.4
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    • pp.236-239
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    • 2019
  • In this work, we performed an optical simulation study on the performance of a PMDPP3T:PCBM based on an organic photovoltaic (PV) device. The virtual PV device was developed in Lumerical, finite-difference time-domain (FDTD) solutions. Different layers of the PV cell have been defined through the incorporation of complex refractive index value of those layers' constituent materials. During the simulation study, the effect of the variation active layer thickness on an ideal short circuit current density ($J_{sc,ideal}$) of the PV cell has been, first, observed. Thereafter, we have investigated the impact of surface roughness of a transparent conducting oxide (TCO) electrode on $J_{sc,ideal}$ of the PV cells. From this simulation, it has been observed that the $J_{sc,ideal}$ value of the PV cell is strongly dependent on the thickness of its active layer and the photon absorption of the PV cell has gradually decreased with the increment of the TCO's surface roughness. As a result, the capability of the PV device has been reduced with the increment of the surface roughness of the TCO.

IL-15 in T-Cell Responses and Immunopathogenesis

  • Hoyoung Lee;Su-Hyung Park;Eui-Cheol Shin
    • IMMUNE NETWORK
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    • v.24 no.1
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    • pp.11.1-11.18
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    • 2024
  • IL-15 belongs to the common gamma chain cytokine family and has pleiotropic immunological functions. IL-15 is a homeostatic cytokine essential for the development and maintenance of NK cells and memory CD8+ T cells. In addition, IL-15 plays a critical role in the activation, effector functions, tissue residency, and senescence of CD8+ T cells. IL-15 also activates virtual memory T cells, mucosal-associated invariant T cells and γδ T cells. Recently, IL-15 has been highlighted as a major trigger of TCR-independent activation of T cells. This mechanism is involved in T cell-mediated immunopathogenesis in diverse diseases, including viral infections and chronic inflammatory diseases. Deeper understanding of IL-15-mediated T-cell responses and their underlying mechanisms could optimize therapeutic strategies to ameliorate host injury by T cell-mediated immunopathogenesis. This review highlights recent advancements in comprehending the role of IL-15 in relation to T cell responses and immunopathogenesis under various host conditions.

Cell-interleavd VC merging scheme for multipoint-to-multipoint communication in ATM network (ATM 망에서의 다자간 통신을 위한 cell-interleaved VC merging 기법)

  • 신상헌
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.25 no.9A
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    • pp.1431-1440
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    • 2000
  • In order to support efficiently the multimedia applications, such as virtual classroom, video conferencing and tele-medical, the efficient multipoint-to-multipoint(MP-to-MP) connection management function is essential. Shared tree is reported as the most useful method for this purpose. In this paper we propose a new MP-to-MP connection setup & management scheme, called CIMA(Cell Interleaved Multiplexing on ATM) scheme,which is a VC merging method for MP-to-MP communication using shared tree. In the CIMA scheme,MRM cell delivers the cell merging information to the next node. The receiving node can identfy cells which arrived through a channel using the same VPI/VCI by the merging information in the MRM cell. Therefore the CIMA scheme can solve easily the Cell Interleaving Problem(CIP) that happens in VC merging. We analyzed the overhead of the proposed CIMA by mathematical analysis,and simulated the buffer usage of CIMA with OPNET. As the result of analysis,we found that the CIMA scheme has acceptable merging overhead and doesn't cause the buffer scare problem.

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A Study on Home Network Functional Model for Personal Area Network based Virtual Home Network (PAN (Personal Area Network) 기반 가상 홈 (Virtual Home) 지원을 위한 홈 네트워크 연동 모델 연구)

  • Joong Hyun Joong
    • Journal of the Korea Society of Computer and Information
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    • v.10 no.1 s.33
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    • pp.167-174
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    • 2005
  • With the progress of portable appliances such as cell phone and handhold PC, the popularization of Personal Area Network (PAN) and the diversification of services that are based on Personal Mobile Gateway (PMG) . To use home services at any time regardless of their Position, it needs a virtual home network that a home network and outside networks are finally integrated. Although interoperability among home appliances reached their service stage, research for services and middleware for new small scale network such as PAN is at an early stage. Traditional home network service/connection methods, terminal control schemes, and middlewares must be extended to accommodate PMG-based PAM. In this paper, we propose an integrated virtual home network Platform that guarantees seamless connections between home network and PAM. We also analyze indispensable functions and presents functions that should be added existent home gateway or home sewer by function.

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A Dynamic Map Partition for Load Balancing of MMORPG based on Virtual Area Information (MMORPG에서의 부하 분산을 위한 가상 영역 정보 기반 동적 지역 분할)

  • Kim Beob-Kyun;An Dong-Un;Chung Seung-Jong
    • The KIPS Transactions:PartA
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    • v.13A no.3 s.100
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    • pp.223-230
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    • 2006
  • A MMORPG(Massively Multiplayer Online Role-Playing Game) is an online role-playing game in which a large number of players can interact with each other in the same world at the same time. Most of them require significant hardware requirements(e.g., servers and bandwidth), and dedicated support staff. Despite the efforts of developers, users often cite overpopulation, lag, and poor support as problems of games. In this paper, a dynamic load balancing method for MMORPGS is proposed. It tries to adapt to dynamic change of population by using dynamic map-partition method with VML(Virtual Map Layer) which consists of fields, sector groups, sectors, and cells. From the experimental results, our approach achieves about $23^{\sim}67%$ lower loads for each field server. By the modification to Virtual Area Layer, we can easily manage problems that come from changes of map data, resources' status, and users' behavior pattern.

Virtual Screening and Testing of GSK-3 Inhibitors Using Human SH-SY5Y Cells Expressing Tau Folding Reporter and Mouse Hippocampal Primary Culture under Tau Cytotoxicity

  • Chih-Hsin Lin;Yu-Shao Hsieh;Ying-Chieh Sun;Wun-Han Huang;Shu-Ling Chen;Zheng-Kui Weng;Te-Hsien Lin;Yih-Ru Wu;Kuo-Hsuan Chang;Hei-Jen Huang;Guan-Chiun Lee;Hsiu Mei Hsieh-Li;Guey-Jen Lee-Chen
    • Biomolecules & Therapeutics
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    • v.31 no.1
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    • pp.127-138
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    • 2023
  • Glycogen synthase kinase-3β (GSK-3β) is an important serine/threonine kinase that implicates in multiple cellular processes and links with the neurodegenerative diseases including Alzheimer's disease (AD). In this study, structure-based virtual screening was performed to search database for compounds targeting GSK-3β from Enamine's screening collection. Of the top-ranked compounds, 7 primary hits underwent a luminescent kinase assay and a cell assay using human neuroblastoma SH-SY5Y cells expressing Tau repeat domain (TauRD) with pro-aggregant mutation ΔK280. In the kinase assay for these 7 compounds, residual GSK-3β activities ranged from 36.1% to 90.0% were detected at the IC50 of SB-216763. In the cell assay, only compounds VB-030 and VB-037 reduced Tau aggregation in SH-SY5Y cells expressing ΔK280 TauRD-DsRed folding reporter. In SH-SY5Y cells expressing ΔK280 TauRD, neither VB-030 nor VB-037 increased expression of GSK-3α Ser21 or GSK-3β Ser9. Among extracellular signal-regulated kinase (ERK), AKT serine/threonine kinase 1 (AKT), mitogen-activated protein kinase 14 (P38) and mitogenactivated protein kinase 8 (JNK) which modulate Tau phosphorylation, VB-037 attenuated active phosphorylation of P38 Thr180/ Tyr182, whereas VB-030 had no effect on the phosphorylation status of ERK, AKT, P38 or JNK. However, both VB-030 and VB-037 reduced endogenous Tau phosphorylation at Ser202, Thr231, Ser396 and Ser404 in neuronally differentiated SH-SY5Y expressing ΔK280 TauRD. In addition, VB-030 and VB-037 further improved neuronal survival and/or neurite length and branch in mouse hippocampal primary culture under Tau cytotoxicity. Overall, through inhibiting GSK-3β kinase activity and/or p-P38 (Thr180/Tyr182), both compounds may serve as promising candidates to reduce Tau aggregation/cytotoxicity for AD treatment.

The design and performance evaluation of a high-speed cell concentrator/distributor with a bypassing capability for interprocessor communication in ATM switching systems (ATM교환기의 프로세서간 통신을 위한 바이패싱 기능을 갖는 고속 셀 집속/분배 장치의 설계 및 성능평가)

  • 이민석;송광석;박동선
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.22 no.6
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    • pp.1323-1333
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    • 1997
  • In this paper, we propose an efficient architecture for a high-speed cell concentrator/distributor(HCCD) in an ATM(Asynchronous Transfer Mode) switch and by analyzeing the simulation results evaluate the performance of the proposed architecuture. The proposed HCCD distributes cells from a switch link to local processors, or concentrates cells from local processor s to a switch link. This design is to guarntee a high throughput for the IPC (inter-processor communication) link in a distributed ATM switching system. The HCCD is designed in a moudlar architecture to provide the extensibility and the flexibility. The main characteristics of the HCCD are 1) Adaption of a local CPU in HCCD for improving flexibility of the system, 2) A cell-baced statistical multiplexing function for efficient multiplexing, 3) A cell distribution function based on VPI(Virtual Path Identifier), 4) A bypassing capability for IPC between processor attached to the same HCCD, 5) A multicasting capability for point-to-multipoint communication, 6) A VPI table updating function for the efficient management of links, 7) A self-testing function for detecting system fault.

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Analysis and Control of Series$\cdot$Shunt Characteristics for Virtual Implementation of Solar Cell Module (태양전지 가상 구현 모듈의 직$\cdot$병렬 특성 해석 및 제어)

  • Han J.M.;Ryu T.G.;Yoo J,H.;Gho J.S,;Choe G.H.
    • Proceedings of the KIPE Conference
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    • 2001.07a
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    • pp.72-75
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    • 2001
  • The solar energy is purity and infinity. Solar power converter were used to convert the electrical energy from the solar arrays to a stable and reliable power source. So much country research this solar energy system. The photovoltaic system is construct many solar cell array, In this paper, new implementation solar system was showed buck converter that V-I curve produced. This system can be used to study the short-term and long-term performances of solar cell and efficiency. This system is a far more cost effective and reliable replacement for field and outdoor flight testing. Study of buck converter, analysis and control shun t$\cdot$series connection characteristics of solar cell array.

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