• Title/Summary/Keyword: human-structure interaction

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NMR structural studies on Human CD99 Type I

  • Kim, Hai-Young;Kim, Young-Mee;Joon Shin;Shin, Young-Kee;Park, Seong-Hoe;Lee, Weontae
    • Proceedings of the Korean Biophysical Society Conference
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    • 2003.06a
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    • pp.69-69
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    • 2003
  • Human CD99 is a ubiquitous 32-kDa transmembrane protein encoded by the mic2 gene. The major cellular functions of CD99 protein are related to homotypic cell adhension, apoptosis, vesicular protein transport, and differentiation of thymocytes or T cells. Recently it has been reported that expression of a splice variant of CD99 transmembrane protein (Type I and Type II) increases invasive ability of human breast cancer cells. To understand structural basis for cellular functions of CD99 (Type I), we have initiated studies on hCD99$^{TMcytoI}$ and hCD99$^{cytoI}$ using circular dichroism (CD) and multi-dimensional NMR spectroscopy. CD spectrum of hCD99$^{TMcytoI}$ in the presence of 200mM DPC and CHAPS displayed an existence $\alpha$-helical conformation. The solution structure of hCD99$^{cytoI}$ determined by NMR is composed of one N-terminal $\alpha$-helix, $\alpha$A, two C-terminal short $\alpha$-helix segments, $\alpha$B and $\alpha$C. While $\alpha$A and $\alpha$B are connected by the long flexible loop, $\alpha$B and $\alpha$C connected by type III$\beta$-turn. Although it has been rarely figured out the correlation between structure and functional mechanism of hCD99$^{TMcytoI}$ and hCD99$^{cytoI}$, there is possibility of dimerization or oligomerization. In addition, the feasible mechanism of hCD99$^{cytoI}$ is that it could have intramolecular interaction between the N- and C- terminal domain through large flexible AB loop.

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Conformational Study of Human Serum Albumin in Pre-denaturation Temperatures by Differential Scanning Calorimetry, Circular Dichroism and UV Spectroscopy

  • Rezaei-Tavirani, Mostafa;Moghaddamnia, Seyed Hassan;Ranjbar, Bijan;Amani, Mojtaba;Marashi, Sayed-Amir
    • BMB Reports
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    • v.39 no.5
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    • pp.530-536
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    • 2006
  • Thermal conformational changes of human serum albumin (HSA) in phosphate buffer, 10 mM at pH = 7 are investigated using differential scanning calorimetric (DSC), circular dichroism (CD) and UV spectroscopic methods. The results indicate that temperature increment from $25^{\circ}C$ to $55^{\circ}C$ induces reversible conformational changes in the structure of HSA. Conformational change of HSA are shown to be a three-step process. Interestingly, melting temperature of the last domain is equal to the maximum value of fever in pathological conditions, i.e. $42^{\circ}C$. These conformational alterations are accompanied by a mild alteration of secondary structures. Study of HSA-SDS (sodium dodecyl sulphate) interaction at $45^{\circ}C$ and $35^{\circ}C$ reveals that SDS affects the HSA structure at least in three steps: the first two steps result in more stabilization and compactness of HSA structure, while the last one induces the unfolding of HSA. Since HSA has a more affinity for SDS at $45^{\circ}C$ compared to $35^{\circ}C$, It is suggested that the net negative charge of HSA is decreased in fever, which results in the decrease of HSA-associated cations and plasma osmolarity, and consequently, heat removal via the increase in urine volume.

Meta Data Model based on C-A-V Structure for Context Information in Ubiquitous Environment (유비쿼터스 환경에서 컨텍스트 정보를 위한 C-A-V구조 기반의 메타 데이터 모델)

  • Choi, Ok-Joo;Yoon, Yong-Ik
    • The KIPS Transactions:PartD
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    • v.15D no.1
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    • pp.41-46
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    • 2008
  • In ubiquitous computer environment, by improving the computer's access to context information for dynamic service adaptation, we can increase richness of communication in human computer interaction and make it possible to produce more useful computational services. We need new data structure in order to flexible apply dynamic information to current context information repository and enhance the communication ability between human and computer. In this paper, we proposed to C-A-V (Category-Attribute-Value) context metadata structure required to support dynamic service adaptation for increasing communication ability in user-centric environments. We also classify the context metadata, as well as define its relationship with other context information on the basis of the application services, changes in the external environments.

A Virtual Reality System for Molecular Modeling (분자 모델링을 위한 가상현실 시스템)

  • Kim, Jee-In;Park, Sung-Jun;Lee, Jun;Choi, Young-Jin;Jung, Seun-Ho
    • Journal of the Korea Computer Graphics Society
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    • v.10 no.2
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    • pp.1-9
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    • 2004
  • 본 논문에서는 바이러스와 같은 생화학 물질의 분자구조를 3 차원 모델로 시각화하여 관찰하고, 그 분자모델을 직관적인 방법으로 조작하기 위한 가상 현실 분자 모델링 시스템을 제안한다. 이 시스템을 사용하면, 입체영상 디스플레이 장치와 데이터 글러브 및 동작 추적 장치를 사용하여 3 차원 분자 모델을 실감나게 조작할 수 있어서 효율적으로 분자들을 관찰하고 결합, 분리하는 등의 분자 모델링 작업이 가능하다. 사용자들은 마우스나 키보드 등의 장비 대신에 자연스러운 몸 동작이나 손 동작을 이용하여 분자 모델링 작업을 위한 동작을 하게 된다. 분자들의 결합을 화학적으로 정확하게, 그리고 실시간으로 시뮬레이션 하기 위해서 에너지 계산 알고리즘을 구현하였으며 이러한 작업이 가능하도록 분자 구조를 표현하는 새로운 자료구조를 제안하였다. 본 연구에서 제안하는 동작 기반의 VR 분자 모델링 시스템의 타당성을 검증하기 위하여 HIV 바이러스 분자를 가지고 분자 모델링 작업을 수행하였고, 사용자 테스트를 실시하여 기존의 방식과 작업 성능 및 사용자 만족도를 비교하였다.

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A Case Study on Rural Landscape Management based on the Resident Participation in Osaka Prefecture, Japan (지역 주민 주체의 농촌지역 경관관리 사례 연구 - 일본 오사카부를 중심으로 -)

  • Park, Jin-Wook;Lee, Yoo-Jick
    • Journal of Korean Society of Rural Planning
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    • v.23 no.1
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    • pp.165-174
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    • 2017
  • Four requirements for the operating and supporting system for sustainable landscape management will be discussed through this paper. The requirements are based on multiple case studies on the structure and the process of development of three organizations that have been contributing to the sustainable rural landscape management in Japan since 1989. The first requirement is that the residents should recognize regional problems and voluntarily organize a group which can properly deal with the problems. Secondly, members of the organization should have a solid grasp of the goal of their activities (or founding principal of the organization) and share it among themselves. Founding principal should include the history of natural circulation system in the area, cultural features and a future plan in association with human resources. Thirdly, the administration of the organization should be separated from the founder, the residents. The administration, such as business promotion, becomes more effective when consigned to a separate entity, not to the residents. Lastly, the interaction among separate entities is crucial to promote diverse activities for the local landscape management. The administrators and experts need to cooperate to draw a precise conclusion regarding the way of interaction. These requirements drawn from the Japanese case studies should be localized to the Korean circumstances for further adoption.

The Dynamic Modeling of Conflicting Issues in Public Organization : The System Simulation of Dynamic Interaction Between Environmental System and Regional Development System. (조직의 상충적 이슈에 관한 동태적 모델링 : 환경 시스템과 경제 시스템 간의 동태적 상호작용 분석과 시스템 시뮬레이션)

  • 홍민기
    • Korean System Dynamics Review
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    • v.1 no.1
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    • pp.159-183
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    • 2000
  • How to protect the environment without sacrificing the human environment and economy at the level of region is on of the most difficult issues of recent times. The dynamic Interactions between economic activities and environmental pollution control activities determine whether social welfare is increased of decreased by such activities and provides a basis for saying whether they help or hurt the economy. Bureaucratic Approach of Local government has failed, and an Impetus has arisen to develop new tools of analysis, useful for finding policy leverages focused on sustainability. This paper focus on understanding dynamic relationships between regional economic system and environmental system, and presenting possible framework for finding policy leverages in dynamic interaction behaviors. The case, selected in this study, is Nacdong river regions case, which is related many meaningful issues about sustainable development: two big metropolitan government and dwellers have different opinion with regard to construction of large scale Industrial pack, drinking water supply, and environment model consisting of three sectors: regional economy sector, river pollution and drinking water sector, environmental protection and investment policy sector Finally, this paper deal with how to link policy leverage to causal loop structure for the sustainable development of two regions.

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Elucidating Molecular Interactions of Natural Inhibitors with HPV-16 E6 Oncoprotein through Docking Analysis

  • Kumar, Satish;Jena, Lingaraja;Galande, Sneha;Daf, Sangeeta;Mohod, Kanchan;Varma, Ashok K.
    • Genomics & Informatics
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    • v.12 no.2
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    • pp.64-70
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    • 2014
  • Human papillomavirus (HPV) infection is the leading cause of cancer mortality among women worldwide. The life-threatening infection caused by HPV demands the need for designing anticancerous drugs. In the recent years, different compounds from natural origins, such as carrageenan, curcumin, epigallocatechin gallate, indole-3-carbinol, jaceosidin, and withaferin, have been used as a hopeful source of anticancer therapy. These compounds have been shown to suppress HPV infection by different researchers. In the present study, we explored these natural inhibitors against E6 oncoprotein of high-risk HPV-16, which is known to inactivate the p53 tumor suppressor protein. A robust homology model of HPV-16 E6 was built to anticipate the interaction mechanism of E6 oncoprotein with natural inhibitory molecules using a structure-based drug designing approach. Docking analysis showed the interaction of these natural compounds with the p53-binding site of E6 protein residues 113-122 (CQKPLCPEEK) and helped the restoration of p53 functioning. Docking analysis, besides helping in silico validation of natural compounds, also helps understand molecular mechanisms of protein-ligand interactions.

In silico Analysis of Natural Compounds as Modulators of Type I Collagen

  • Narayanaswamy, Radhakrishnan;Wai, Lam Kok;Esa, Norhaizan Mohd;Ismail, Intan Safinar
    • Journal of Integrative Natural Science
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    • v.9 no.3
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    • pp.166-170
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    • 2016
  • Collagen plays a vital role in the maintenance of structure and function of a human body. It has been widely applied in various fields including biomedical, cosmeceutical, food, pharmaceutical and tissue engineering. In the present study, the docking behaviour of type I collagen with 15 different ligands namely hydroxymethylfurfural, methylglyoxal, methylsyringate, O-methoxyacetophenone, 3-phenyllactic acid, 4-hydroxybenzoic acid, kojic acid, lumichrome, galangin, artoindonesianin F, caffeic acid, 4-coumaric acid, origanol A, thymoquinone and quercetin was evaluated along with their putative binding sites using Discovery Studio Version 3.1. Docking studies and binding free energy calculations revealed that origanol A has maximum interaction energy (-40.48 kcal/mol) and quercetin with the least interaction energy (-15.44 kcal/mol) as compared to the other investigated ligands. Three ligands which are galangin, methylsyringate and origanol A were shown to interact with Asp21 amino acid residue of chain B (type I collagen). Therefore, it is strongly suggested that the outcomes from the present study might provide new insight in understanding these 15 ligands as potential type I collagen modulators for the prevention of collagen associate disorders.

Force Analysis on the Nano/Micro Particle in a Flow using Immersed Boundary-Lattice Boltzmann Method (가상경계-격자 볼츠만 방법을 이용한 유동장내 나노/마이크로 입자에 작용하는 힘의 해석)

  • Jo, Hong Ju;Lee, Sei Young
    • Journal of Biomedical Engineering Research
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    • v.43 no.1
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    • pp.35-44
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    • 2022
  • Immersed boundary-Lattice Boltzmann Method (IB-LBM) is used for the analysis of flow over the circular cylinder in the concept of fluid-structure interaction analysis (FSI). Recently, IB-LBM has shown the enormous possibility for the application of various biomedical engineering fields, such as the movement of a human body or the behavior of the blood cells and/or particle-based drug delivery system in blood vessels. In order for the numerical analysis of the interaction between fluid and solid object, immersed boundary method and lattice Boltzmann method are coupled to analyze the flow over a cylinder for low Reynolds laminar flow (Re=10, 20, 40 and 100) with Zhu-He boundary condition at the boundary. With the developed IB-LBM, the flow around the cylinder in the uniform flow is analyzed for the laminar flow and the drag and lift coefficients and recirculation length are compared to the previous results.

Facial Point Classifier using Convolution Neural Network and Cascade Facial Point Detector (컨볼루셔널 신경망과 케스케이드 안면 특징점 검출기를 이용한 얼굴의 특징점 분류)

  • Yu, Je-Hun;Ko, Kwang-Eun;Sim, Kwee-Bo
    • Journal of Institute of Control, Robotics and Systems
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    • v.22 no.3
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    • pp.241-246
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    • 2016
  • Nowadays many people have an interest in facial expression and the behavior of people. These are human-robot interaction (HRI) researchers utilize digital image processing, pattern recognition and machine learning for their studies. Facial feature point detector algorithms are very important for face recognition, gaze tracking, expression, and emotion recognition. In this paper, a cascade facial feature point detector is used for finding facial feature points such as the eyes, nose and mouth. However, the detector has difficulty extracting the feature points from several images, because images have different conditions such as size, color, brightness, etc. Therefore, in this paper, we propose an algorithm using a modified cascade facial feature point detector using a convolutional neural network. The structure of the convolution neural network is based on LeNet-5 of Yann LeCun. For input data of the convolutional neural network, outputs from a cascade facial feature point detector that have color and gray images were used. The images were resized to $32{\times}32$. In addition, the gray images were made into the YUV format. The gray and color images are the basis for the convolution neural network. Then, we classified about 1,200 testing images that show subjects. This research found that the proposed method is more accurate than a cascade facial feature point detector, because the algorithm provides modified results from the cascade facial feature point detector.