• Title/Summary/Keyword: docking

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Binding Properties and Structural Predictions of Homeodomain Proteins CDX1/2 and HOXD8

  • Park, So-Young;Jeong, Mi-Suk;Jang, Se-Bok
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2325-2331
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    • 2011
  • Human CDX1 and CDX2 genes play important roles in the regulation of cell proliferation and differentiation in the intestine. Hox genes clustered on four chromosomal regions (A-D) specify positional signaling along the anterior-posterior body axis, including intestinal development. Using glutathione S-transferase (GST) pulldown assays, molecular interaction measurements, and fluorescence measurements, we found that the homeodomains (HDs) of CDX1 and CDX2 directly interact with that of HOXD8 in vitro. CDX1 showed significant affinity for HOXD8, but CDX2 showed weak affinity for HOXD8. Thus far, three-dimensional structures of CDX1/2 and HOXD8 have not been determined. In this study, we developed a molecular docking model by homology modeling based on the structures of other HD members. Proteins with mutations in the HD of CDX1 (S185A, N190A, T194A, and V212A) also bound to the HD of HOXD8. Our study suggests that the HDs of CDX1/2 resemble those of HOXD8, and we provide the first insight into the interaction between the HDs of CDX1/2 proteins and those of HOXD8.

Receptor-oriented Pharmacophore-based in silico Screening of Human Catechol O-Methyltransferase for the Design of Antiparkinsonian Drug

  • Lee, Jee-Young;Baek, Sun-Hee;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.28 no.3
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    • pp.379-385
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    • 2007
  • Receptor-oriented pharmacophore-based in silico screening is a powerful tool for rapidly screening large number of compounds for interactions with a given protein. Inhibition of the enzyme catechol-Omethyltransferase (COMT) offers a novel possibility for treating Parkinson's disease. Bisubstrate inhibitors of COMT containing the adenine of S-adenosylmethionine (SAM) and a catechol moiety are a new class of potent and selective inhibitor. In the present study, we used receptor-oriented pharmacophore-based in silico screening to examine the interactions between the active site of human COMT and bisubstrate inhibitors. We generated 20 pharmacophore maps, of which 4 maps reproduced the docking model of hCOMT and a bisubstrate inhibitor. Only one of these four, pharmacophore map I, effectively described the common features of a series of bisubstrate inhibitors. Pharmacophore map I consisted of one hydrogen bond acceptor (to Mg2+), three hydrogen bond donors (to Glu199, Glu90, and Gln120), and one hydrophobic feature (an active site region surrounded by several aromatic and hydrophobic residues). This map represented the most essential pharmacophore for explaining interactions between hCOMT and a bisubstrate inhibitor. These results revealed a pharmacophore that should help in the development of new drugs for treating Parkinson's disease.

Hull Maintenance Management System Development for Semi-Submersible Drilling Rig (반잠수식 시추선용 선체 유지보수 관리 시스템 개발)

  • Oh, Eun-Sung;Choi, Woo-Young;Kim, Hyeong-Cheol;Bae, Si-Hoon;Byeon, Ji-Ha
    • Journal of the Society of Naval Architects of Korea
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    • v.50 no.3
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    • pp.129-137
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    • 2013
  • Each owner or operator of offshore products uses a maintenance management system like CMMS(Computerized Maintenance Management System) in order to manage their assets effectively and efficiently for a long time. But most of maintenance management systems have been focused on machinery items, not on 'Hull' until now. On the other hand, classifications like ABS, DNV, GL are having a sale on hull inspection and maintenance system for ships and an interest in hull maintenance system is increasing because of the application of EDD(Extended Dry Docking). This paper discusses the concept, inspection process and the practical application of Hull maintenance for Semi-submersible drilling rig to extend the service life and run a stable operation.

Butyrylcholinesterase Inhibitory Activity and GC-MS Analysis of Carica papaya Leaves

  • Khaw, Kooi-Yeong;Chear, Nelson Jeng Yeou;Maran, Sathiya;Yeong, Keng Yoon;Ong, Yong Sze;Goh, Bey Hing
    • Natural Product Sciences
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    • v.26 no.2
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    • pp.165-170
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    • 2020
  • Carica papaya is a medicinal and fruit plant owing biological activities including antioxidant, antiviral, antibacterial and anticancer. The present study aims to investigate the acetyl (AChE) and butyryl (BChE) cholinesterase inhibitory potentials of C. papaya extracts as well as their chemical compositions. The chemical composition of the active extract was identified using a gas chromatography-mass spectrometry (GC-MS). Ellman enzyme inhibition assay showed that the alkaloid-enriched leaf extract of C. papaya possessed significant anti-BChE activity with an enzyme inhibition of 75.9%. GC-MS analysis showed that the alkaloid extract composed mainly the carpaine (64.9%) - a major papaya alkaloid, and some minor constituents such as aliphatic hydrocarbons, terpenes and phenolics. Molecular docking of carpaine revealed that this molecule formed hydrogen bond and hydrophobic interactions with choline binding site and acyl pocket. This study provides some preliminary findings on the potential use of C. papaya leaf as an herbal supplement for the prevention and treatment of Alzheimer's disease.

Development of an Intelligent Security Robot System for Home Surveillance (가정용 지능형 경비 로봇 시스템 개발)

  • Park, Jeong-Ho;Shin, Dong-Gwan;Woo, Chun-Kyu;Kim, Hyung-Chul;Kwon, Yong-Kwan;Choi, Byoung-Wook
    • Journal of Institute of Control, Robotics and Systems
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    • v.13 no.8
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    • pp.810-816
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    • 2007
  • A security robot system named EGIS-SR is a mobile security robot through one of the new growth engine project in robotic industries. It allows home surveillance through an autonomous mobile platform using onboard cameras and wireless security sensors. EGIS-SR has many sensors to allow autonomous navigation, hierarchical control architecture to handle lots of situations in monitoring home surveillance and mighty networks to achieve unmanned security services. EGIS-SR is tightly coupled with a networked security environment, where the information of the robot is remotely connected with the remote cockpit and patrol man. It achieved an intelligent unmanned security service. The robot is a two-wheeled mobile robot and has casters and suspension to overcome a doorsill. The dynamic motion is verified through $ADAMS^{TM}$ simulation. For the main controller, PXA270 based hardware platform based on linux kernel 2.6 is developed. In the linux platform, data handling for various sensors and the localization algorithm are performed. Also, a local path planning algorithm for object avoidance with ultrasonic sensors and localization using $StarGazer^{TM}$ is developed. Finally, for the automatic charging, a docking algorithm with infrared ray system is implemented.

The Molecular Functions of RalBP1 in Lung Cancer

  • Lee, Seunghyung
    • Biomedical Science Letters
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    • v.20 no.2
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    • pp.49-55
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    • 2014
  • RalBP1 is an ATP-dependent non-ABC transporter, responsible for the major transport function in many cells including many cancer cell lines, causing efflux of glutathione-electrophile conjugates of both endogenous metabolites and environmental toxins. RalBP1 is expressed in most human tissues, and is over-expressed in non-small cell lung cancer cell lines and in many other tumor types. Blockade of RalBP1 by various approaches has been shown to increase sensitivity to radiation and chemotherapeutic drugs, leading to cell apoptosis. In xenograft tumor models in mice, RalBP1 blockade or depletion results in complete and sustained regression across many cancer cell types including lung cancer cells. In addition to its transport function, RalBP1 has many other cellular and physiological functions, based on its domain structure which includes a unique Ral-binding domain and a RhoGAP catalytic domain, as well as docking sites for multiple signaling proteins. Additionally, RalBP1 is also important for stromal cell function in tumors, as it was recently shown to be required for efficient endothelial cell function and angiogenesis in solid tumors. In this review, we discuss the cellular and physiological functions of RalBP1 in normal and lung cancer cells.

The Design of Docking Drone System using Marker Detection (마커인식 및 레이저 센서를 이용한 드론의 도킹 시스템 설계)

  • Beck, Jong-Hwan;Park, Hee-Su;Oh, Se-Ryeong;Shin, Ji-Hun;Kim, Sang-Hoon
    • Annual Conference of KIPS
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    • 2016.10a
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    • pp.755-758
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    • 2016
  • 본 논문에서는 마커 인식과 레이저 센서를 이용하여 드론과 모듈 로봇 간의 상호작용이 가능하며 도킹 가능한 드론을 설명한다. 모듈 로봇은 4족 로봇으로 4개의 다리를 이용하여 보행이 가능하며 스스로 장애물 회피 등의 지능적 행동이 가능하다. 연구에서는 1대의 카메라를 이용하여 마커 인식을 하고 레이저 센서 송수신을 통하여 모듈 로봇과의 상호작용이 가능함을 보인다. 실험은 마커 인식과 레이저 센서를 융합하였을 때의 도킹 성공률이 뛰어났다는 결과를 보이며 드론의 페이로드가 다른 상황에서도 안정적인 결과를 보여 영상이나 방범, 농업 분야에서 특수한 기술을 갖는 로봇을 드론과의 도킹을 통해 다른 모듈화 된 로봇들과 교체하여 실효성을 극대화 시킬 수 있을 것이다.

Viriditoxin Induces G2/M Cell Cycle Arrest and Apoptosis in A549 Human Lung Cancer Cells

  • Park, Ju Hee;Noh, Tae Hwan;Wang, Haibo;Kim, Nam Deuk;Jung, Jee H.
    • Natural Product Sciences
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    • v.21 no.4
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    • pp.282-288
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    • 2015
  • Viriditoxin is a fungal metabolite isolated from Paecilomyces variotii, which was derived from the giant jellyfish Nemopilema nomurai. Viriditoxin was reported to inhibit polymerization of FtsZ, which is a key protein for bacterial cell division and a structural homologue of eukaryotic tubulin. Both tubulin and FtsZ contain a GTP-binding domain, have GTPase activity, assemble into protofilaments, two-dimensional sheets, and protofilament rings, and share substantial structural identities. Accordingly, we hypothesized that viriditoxin may inhibit eukaryotic cell division by inhibiting tubulin polymerization as in the case of bacterial FtsZ inhibition. Docking simulation of viriditoxin to ${\beta}-tubulin$ indicated that it binds to the paclitaxel-binding domain and makes hydrogen bonds with Thr276 and Gly370 in the same manner as paclitaxel. Viriditoxin suppressed growth of A549 human lung cancer cells, and inhibited cell division with G2/M cell cycle arrest, leading to apoptotic cell death.

Fish-eye camera calibration and artificial landmarks detection for the self-charging of a mobile robot (이동로봇의 자동충전을 위한 어안렌즈 카메라의 보정 및 인공표지의 검출)

  • Kwon, Oh-Sang
    • Journal of Sensor Science and Technology
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    • v.14 no.4
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    • pp.278-285
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    • 2005
  • This paper describes techniques of camera calibration and artificial landmarks detection for the automatic charging of a mobile robot, equipped with a fish-eye camera in the direction of its operation for movement or surveillance purposes. For its identification from the surrounding environments, three landmarks employed with infrared LEDs, were installed at the charging station. When the robot reaches a certain point, a signal is sent to the LEDs for activation, which allows the robot to easily detect the landmarks using its vision camera. To eliminate the effects of the outside light interference during the process, a difference image was generated by comparing the two images taken when the LEDs are on and off respectively. A fish-eye lens was used for the vision camera of the robot but the wide-angle lens resulted in a significant image distortion. The radial lens distortion was corrected after linear perspective projection transformation based on the pin-hole model. In the experiment, the designed system showed sensing accuracy of ${\pm}10$ mm in position and ${\pm}1^{\circ}$ in orientation at the distance of 550 mm.

Vision Sensor and Deep Learning-based Around View Monitoring System for Ship Berthing (비전 센서 및 딥러닝 기반 선박 접안을 위한 어라운드뷰 모니터링 시스템)

  • Kim, Hanguen;Kim, Donghoon;Park, Byeolteo;Lee, Seung-Mok
    • IEMEK Journal of Embedded Systems and Applications
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    • v.15 no.2
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    • pp.71-78
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    • 2020
  • This paper proposes vision sensors and deep learning-based around view monitoring system for ship berthing. Ship berthing to the port requires precise relative position and relative speed information between the mooring facility and the ship. For ships of Handysize or higher, the vesselships must be docked with the help of pilots and tugboats. In the case of ships handling dangerous cargo, tug boats push the ship and dock it in the port, using the distance and velocity information receiving from the berthing aid system (BAS). However, the existing BAS is very expensive and there is a limit on the size of the vessel that can be measured. Also, there is a limitation that it is difficult to measure distance and speed when there are obstacles near the port. This paper proposes a relative distance and speed estimation system that can be used as a ship berthing assist system. The proposed system is verified by comparing the performance with the existing laser-based distance and speed measurement system through the field tests at the actual port.