• 제목/요약/키워드: Interaction potential

검색결과 1,502건 처리시간 0.03초

Novel potential drugs for the treatment of primary open-angle glaucoma using protein-protein interaction network analysis

  • Parisima Ghaffarian Zavarzadeh;Zahra Abedi
    • Genomics & Informatics
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    • 제21권1호
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    • pp.6.1-6.8
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    • 2023
  • Glaucoma is the second leading cause of irreversible blindness, and primary open-angle glaucoma (POAG) is the most common type. Due to inadequate diagnosis, treatment is often not administered until symptoms occur. Hence, approaches enabling earlier prediction or diagnosis of POAG are necessary. We aimed to identify novel drugs for glaucoma through bioinformatics and network analysis. Data from 36 samples, obtained from the trabecular meshwork of healthy individuals and patients with POAG, were acquired from a dataset. Next, differentially expressed genes (DEGs) were identified to construct a protein-protein interaction (PPI) network. In both stages, the genes were enriched by studying the critical biological processes and pathways related to POAG. Finally, a drug-gene network was constructed, and novel drugs for POAG treatment were proposed. Genes with p < 0.01 and |log fold change| > 0.3 (1,350 genes) were considered DEGs and utilized to construct a PPI network. Enrichment analysis yielded several key pathways that were upregulated or downregulated. For example, extracellular matrix organization, the immune system, neutrophil degranulation, and cytokine signaling were upregulated among immune pathways, while signal transduction, the immune system, extracellular matrix organization, and receptor tyrosine kinase signaling were downregulated. Finally, novel drugs including metformin hydrochloride, ixazomib citrate, and cisplatin warrant further analysis of their potential roles in POAG treatment. The candidate drugs identified in this computational analysis require in vitro and in vivo validation to confirm their effectiveness in POAG treatment. This may pave the way for understanding life-threatening disorders such as cancer.

Accessibility 모델을 활용한 세종시 인접 지역의 인구잠재력 변화 분석 (Analysis of Changes in the Population Potential of the Neighboring Areas of Sejong City Using the Accessibility Model)

  • 김호용;윤정미
    • 한국지리정보학회지
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    • 제17권4호
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    • pp.167-178
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    • 2014
  • 수도권의 과도한 집중에 따른 부작용을 해소하고 국가 균형 발전 및 국가경제력 강화를 위하여 2012년 출범한 세종시는 대규모 택지개발이 급격한 개발속도로 이루어지면 주변지역 공간구조의 변화가 예상된다. 본 연구는 세종시 출범에 따른 인접지역의 공간구조 변화를 측정하기 위한 일환으로 공간적 상호작용 측면에서 접근하였다. 분석은 Accessibility 모델을 이용하여 미래 공간 상호작용을 위한 잠재력인 인구잠재력을 계산하고, 인구잠재력을 지표로 활용하여 공간패턴분석기법에 적용함으로써 세종시 건설 전후 인접지역들의 공간적 상호작용 결과를 정량적 정성적으로 해석하였다. 분석결과 1995년 이후 대상지역 인구잠재력의 영향범위는 지속적으로 감소하는 것으로 나타났으며, 2013년에는 천안시를 중심으로 인구가 집중하여 인구잠재력이 분산되는 것으로 나타났다. 세종시는 새로운 인구잠재력 지대로써 주변지역에 대한 구심점 역할을 수행하지 못하는 것으로 나타났지만 세종시의 입주가 얼마 지나지 않은 시점에서의 분석결과 때문으로 판단된다. 따라서 세종시의 계획인구 도달을 위한 노력과 함께 인구증가에 따른 요인들의 변화와 주변 도시들의 공간구조변화에 대한 지속적인 모니터링이 필요하다고 하겠다.

COMPUTATION OF THE DYNAMIC FORCE COMPONENT ON A VERTICAL CYLINDER DUE TO SECOND ORDER WAVE DIFFRACTION

  • Bhatta, Dambaru
    • Journal of applied mathematics & informatics
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    • 제26권1_2호
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    • pp.45-60
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    • 2008
  • Here we consider the evaluation of the the dynamic component of the second order force due to wave diffraction by a circular cylinder analytically and numerically. The cylinder is fixed, vertical, surface piercing in water of finite uniform depth. The formulation of the wave-structure interaction is based on the assumption of a homogeneous, ideal, incompressible, and inviscid fluid. The nonlinearity in the wave-structure interaction problem arises from the free surface boundary conditions, namely, dynamic and kinematic free surface boundary conditions. We expand the velocity potential and free surface elevation functions in terms of a small parameter and then consider the second order diffraction problem. After deriving the pressure using Bernoulli's equation, we obtain the analytical expression for the dynamic component of the second order force on the cylinder by integrating the pressure over the wetted surface. The computation of the dynamic force component requires only the first order velocity potential. Numerical results for the dynamic force component are presented.

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An Algorithm for Predicting Binding Sites in Protein-Nucleic Acid Complexes

  • Han, Nam-Shik;Han, Kyung-Sook
    • 한국생물정보학회:학술대회논문집
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    • 한국생물정보시스템생물학회 2003년도 제2차 연례학술대회 발표논문집
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    • pp.17-25
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    • 2003
  • Determining the binding sites in protein-nucleic acid complexes is essential to the complete understanding of protein-nucleic acid interactions and to the development of new drugs. We have developed a set of algorithms for analyzing protein-nucleic acid interactions and for predicting potential binding sites in protein-nucleic acid complexes. The algorithms were used to analyze the hydrogen-bonding interactions in protein-RNA and protein-DNA complexes. The analysis was done both at the atomic and residue level, and discovered several interesting interaction patterns and differences between the two types of nucleic acids. The interaction patterns were used for predicting potential binding sites in new protein-RNA complexes.

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Studies on the Binding Affinity of Aminoglycoside Antibiotics to the HIV-l Rev Responsive Element for Designing Potential Antiviral Agents

  • Kwon, Young-Joo
    • Journal of Microbiology and Biotechnology
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    • 제16권1호
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    • pp.109-117
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    • 2006
  • The Rev binding to Rev Responsive Element (RRE) of HIV-1 mRNA plays an important role in the HIV-I viral replication cycle. The disruption of the Rev-RRE interaction has been studied extensively in order to develop a potential antiviral drug. In order to provide the basis for a more promising approach to develop a Rev-RRE binding inhibitor against HIV-I infection, it is necessary to understand the binding modes of the aminoglycoside antibiotics to RRE. In the present study, the binding mode of a modified antibiotic, a neamine conjugated with pyrene and arginine (NCPA), to RRE has been studied by the methods of $T_m$ measurement and spectroscopic analysis of RRE with or without antibiotics. The results confirmed that NCPA competes with Rev in binding to RRE.

Potentiometric Sensor for the Determination of Dibucaine in Pharmaceutical Preparations and Electrochemical Study of the Drug with BSA

  • Ensafi, Ali A.;Allafchian, A.R.
    • Bulletin of the Korean Chemical Society
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    • 제32권8호
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    • pp.2722-2726
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    • 2011
  • Plasticized poly(vinyl chloride), PVCs, with different membrane compositions tested for use in the construction of an ion-selective sensor for the determination dibucaine. A prepared membrane with dioctyl phthalate-PVC and ion-pair of N-(1-naphthyl)ethylenediamine dihydrochloride-tetraphenyl borate had a good potential to acts as a potentiometric sensor for the analysis of dibucaine. A linear relationship was obtained between potential and logC varying between $1.0{\times}10^{-6}$ and $1.0{\times}10^{-2}$ M dibucaine with a good repeatability and reproducibility. The sensor was applied for the determination of the drug in pharmaceuticals and biological fluids such as plasma and urine samples with satisfactory results. The drug electrode has also been used to study the interaction of bovine serum albumin (BSA) with dibucaine. The saturated quantities of dibucaine binding were 13.04, 5.30 and 9.70 mol/mol in 0.01, 0.02 and 0.1% of protein, respectively.

초임계 유체내의 고체의 용해도 (Ⅰ) (Solubilities of Solids in Supercritical Fluids (Ⅰ))

  • 김정림;경진범
    • 대한화학회지
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    • 제34권4호
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    • pp.325-330
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    • 1990
  • 여러 온도와 압력에서 초임계 암모니아내의 카페인의 용해도를 측정함으로써 용해도와 암모니아의 밀도 사이의 관계를 간단한 식으로 나타낼 수 있었다. 이 식을 이용하여 암모니아와 카페인 사이의 상호작용 비리알 계수를 결정한 다음 이로부터 Lennard-Jones 퍼텐셜함수의 파라미터를 결정하였다. 그리고 이미 보고된 초임계 암모니아내의 나프탈렌의 용해도와 초임계 이산화탄소내의 카페인 및 나프탈렌의 용해도 자료로부터 같은 방법으로 결정된 상호작용 비리알 계수와 Lennard-Jones 퍼텐셜함수를 각각 비교 검토하였다.

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The Impact of Gut Microbiota in Human Health and Diseases: Implication for Therapeutic Potential

  • Ha, Eun-Mi
    • Biomolecules & Therapeutics
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    • 제19권2호
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    • pp.155-173
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    • 2011
  • Humans have and hold 100 trillion intestinal bacteria that are essential for health. For millions of years human-microorganisms interaction has co-evolved, and maintained close symbiotic relationship. Gut bacteria contributes to human health and metabolism, and humans provides the optimum nutrition-rich environment for bacteria. What is the mechanism of the host distinguishing the intestinal bacteria as its cohabiting partner and what kind of benefits does the gut microbiota provide the human are the fundamental questions to be asked and solved in order to make human life a higher quality. This review explains the physiological relationship and mutualism between the host and gut microorganism, and highlights the potential therapeutic approach for treating diseases, maintaining and improving health based on these correlations.

Substructure/fluid subdomain coupling method for large vibroacoustic problems

  • El Maani, Rabii;El Hami, Abdelkhalak;Radi, Bouchaib
    • Structural Engineering and Mechanics
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    • 제65권4호
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    • pp.359-368
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    • 2018
  • Dynamic analysis of complex and large structures may be costly from a numerical point of view. For coupled vibroacoustic finite element models, the importance of reducing the size becomes obvious because the fluid degrees of freedom must be added to the structural ones. In this paper, a component mode synthesis method is proposed for large vibroacoustic interaction problems. This method couples fluid subdomains and dynamical substructuring of Craig and Bampton type. The acoustic formulation is written in terms of the velocity potential, which implies several advantages: coupled algebraic systems remain symmetric, and a potential formulation allows a direct extension of Craig and Bampton's method to acoustics. Those properties make the proposed method easy to implement in an existing finite element code because the local numerical treatment of substructures and fluid subdomains is undifferentiated. Test cases are then presented for axisymmetric geometries. Numerical results tend to prove the validity and the efficiency of the proposed method.

EEG model by statistical mechanics of neocortical interaction

  • Park, J.M.;Whang, M.C.;Bae, B.H.;Kim, S.Y.;Kim, C.J.
    • 대한인간공학회지
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    • 제16권2호
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    • pp.15-27
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    • 1997
  • Brain potential is described using the mesocolumnar activity defined by averaged firings of excitatory and inhibitory neuron of neocortex. Lagrangian is constructed based on SMNI(Statistical Mechanics of Neocortical Interaction) and then Euler Lagrange equation is obtained. Excitatory neuron firing is assumed to be amplitude- modulated dominantly by the sum of two modes of frequency .omega. and 2 .omega. . Time series of this neuron firing is calculated numerically by Euler Lagrangian equation. I .omega. L related to low frequency distribution of power spectrum, I .omega. H hight frequency, and Sd(standard deviation) were introduced for the effective extraction of the dynamic property in the simulated brain potential. The relative behavior of I .omega. L, I .omega. H, and Sd was found by parameters .epsilon. and .gamma. related to nonlinearity and harmonics respectively. Experimental I .omega L, I .omega. H, and Sd were obtained from EEG of human in rest state and of canine in deep sleep state and were compared with theoretical ones.

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