• 제목/요약/키워드: molecular interaction

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폴리카보네이트들과 다양한 종류의 폴리메타아크릴레이트 블렌드의 열역학적 특성에 관한 연구 (Thermodynamic Characteristics of Blends Involving Polycarbonates and Various Polymethacrylates)

  • 김주헌;박동식;김창근
    • 폴리머
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    • 제24권5호
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    • pp.682-689
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    • 2000
  • 고분자의 구조설계를 통해서 단상의 블렌드를 제조하기 위해서는 고분자 반복 단위간의 열역학적 정보가 필수적으로 요구된다. 본 연구에서는 블렌드를 구성하는 각 성분간의 상호작용 에너지를 결정하고 이를 이용하여 단상의 블렌드를 제조하는 방법을 제시하였다. 이를 위하여 폴리카보네이트들과 여러 종류의 폴리메타크릴레이트간의 상용성을 조사하였으며, 이를 바탕으로 고분자 구조를 조절하여 단상의 블렌드를 제조하였다. 또한 단상의 블렌드에 포함된 각 고분자간의 상호작용 에너지는 LCST 거동에 의한 상분리 온도와 상태방정식을 이용하여 정량화 하였다.

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CDK2-flavonoids interaction by NMR

  • Kim, Ho-Jung;Jung, Bo-Ra;Lee, Yu-Kyung;Ahn, Joong-Hoon;Lim, Yoong-Ho
    • 한국생물공학회:학술대회논문집
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    • 한국생물공학회 2005년도 생물공학의 동향(XVII)
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    • pp.940-940
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    • 2005
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Interaction between IGFBP-5 and TNFR1

  • Kim, Eun-Jung;Jeong, Mi-Suk;Hwang, Jae-Ryoung;Lee, Je-Ho;Jang, Se-Bok
    • Bulletin of the Korean Chemical Society
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    • 제31권7호
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    • pp.2019-2024
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    • 2010
  • Insulin-like growth factor binding protein 5 (IGFBP-5) plays an important role in controlling cell survival, differentiation and apoptosis. Apoptosis can be induced by an extrinsic pathway involving the ligand-mediated activation of death receptors such as tumor necrosis factor receptor 1 (TNFR1). To determine whether IGFBP-5 and TNFR1 interact as members of the same apoptosis pathway, recombinant IGFBP-5 and TNFR1 were isolated. The expression and purification of the full-length TNFR1 and truncated IGFBP-5 proteins were successfully performed in E. coli. The binding of both IGFBP-5 and TNFR1 proteins was detected by surface plasmon resonance spectroscopy (BIAcore), fluorescence measurement, electron microscopy, and size-exclusion column (SEC) chromatography. IGFBP-5 indeed binds to TNFR1 with an apparent $K_D$ of 9 nM. After measuring the fluorescence emission spectra of purified IGFBP-5 and TNFR1, it was found that the tight interaction of these proteins is accompanied by significant conformational changes of one or both. These results indicate that IGFBP-5 acts potently as a novel ligand for TNFR1.

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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    • 제32권7호
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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.

Molecular Tension Probes to Quantify Cell-Generated Mechanical Forces

  • Baek, Kyung Yup;Kim, Seohyun;Koh, Hye Ran
    • Molecules and Cells
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    • 제45권1호
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    • pp.26-32
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    • 2022
  • Living cells generate, sense, and respond to mechanical forces through their interaction with neighboring cells or extracellular matrix, thereby regulating diverse cellular processes such as growth, motility, differentiation, and immune responses. Dysregulation of mechanosensitive signaling pathways is found associated with the development and progression of various diseases such as cancer. Yet, little is known about the mechanisms behind mechano-regulation, largely due to the limited availability of tools to study it at the molecular level. The recent development of molecular tension probes allows measurement of cellular forces exerted by single ligand-receptor interaction, which has helped in revealing the hitherto unknown mechanistic details of various mechanosensitive processes in living cells. Here, we provide an introductory overview of two methods based on molecular tension probes, tension gauge tether (TGT), and molecular tension fluorescence microscopy (MTFM). TGT utilizes the irreversible rupture of double-stranded DNA tether upon application of force in the piconewton (pN) range, whereas MTFM utilizes the reversible extension of molecular springs such as polymer or single-stranded DNA hairpin under applied pN forces. Specifically, the underlying principle of how molecular tension probes measure cell-generated mechanical forces and their applications to mechanosensitive biological processes are described.

공진점변화검출용 QCM 센싱플랫폼을 이용한 폭발물 특이적 바이오수용체 성능평가 (Performance Evaluation of Explosive Specific Bio-receptor Using QCM Sensing Platform for Resonance Frequency Shift Detection)

  • 임시형;정현진
    • 한국소음진동공학회논문집
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    • 제21권3호
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    • pp.280-284
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    • 2011
  • The mass change during the molecular interaction between explosive specific bio-receptors and target molecules has been measured using quartz crystal microbalance(QCM), which has a mass change detection limit up to ~ng/$cm^2$. The environmental effect on the molecular interaction has been evaluated. In the liquid phase molecular interaction experiments, the high selectivity of the bio-receptor to DNT compared with toluene has been shown and the sensitivity for various concentrations of DNT has been demonstrated.

Molecular Docking Study of Novel Anti-Hepatitis B Virus Agents Isolated from Talaromyces Species

  • Babu, Sathya
    • 통합자연과학논문집
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    • 제9권1호
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    • pp.23-27
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    • 2016
  • Hepatitis B virus is the leading source of liver disorders and is a global health problem and needs advancements in its treatment against increasing problems. Recently five vanitaracin derivatives were isolated from the fungus Talaromyces species which have anti-Hepatitis B virus activity. Hence, in the present study, molecular docking was carried out with five vanitaracin derivatives isolated from Talaromyces species and three known inhibitors.The objective of this work is to study the interaction of newly isolated compounds and compare its interaction with known inhibitors. The docking results revealed that vanitaracin derivatives have good interactions and has better docking score with the Hepatitis B virus and suggest SER2, SER4 and ASP30 are important residues involved in interaction with the inhibitors. These result authenticates vanitaracin derivatives contributes to inhibitory activity of Hepatitis B virus to treat liver disorders.

Interaction Models of Substrate Peptides and β-Secretase Studied by NMR Spectroscopy and Molecular Dynamics Simulation

  • Lee, Jee-Young;Lee, Sung-Ah;Kim, Jin-Kyoung;Chae, Chi-Bom;Kim, Yangmee
    • Molecules and Cells
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    • 제27권6호
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    • pp.651-656
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    • 2009
  • The formation of ${\beta}$-amyloid peptide ($A{\beta}$) is initiated from cleavage of amyloid precursor protein (APP) by a family of protease, ${\alpha}$-, ${\beta}$-, and ${\gamma}$-secretase. Sub W, a substrate peptide, consists of 10 amino acids, which are adjacent to the ${\beta}$-cleavage site of wild-type APP, and Sub M is Swedish mutant with double mutations on the left side of the ${\beta}$-cleavage site of APP. Sub W is a normal product of the metabolism of APP in the secretary pathway. Sub M is known to increase the efficiency of ${\beta}$-secretase activity, resulting in a more specific binding model compared to Sub W. Three-dimensional structures of Sub W and Sub M were studied by CD and NMR spectroscopy in water solution. On the basis of these structures, interaction models of ${\beta}$-secretase and substrate peptides were determined by molecular dynamics simulation. Four hydrogen bonds and one water-mediated interaction were formed in the docking models. In particular, the hydrogen bonding network of Sub M-BACE formed spread over the broad region of the active site of ${\beta}$-secretase (P5-P3'), and the side chain of P2- Asn formed a hydrogen bond specifically with the side chain of Arg235. These are more favorable to the cleavage of Sub M by ${\beta}$-secretase than Sub W. The two substrate peptides showed different tendency to bind to ${\beta}$-secretase and this information may useful for drug development to treat and prevent Alzheimer's disease.

Interaction of Microtubule-associated Protein 1B Light Chain(MAP1B-LC1) and p53 Represses Transcriptional Activity of p53

  • Kim, Jung-Woong;Lee, So-Youn;Jeong, Mi-Hee;Jang, Sang-Min;Song, Ki-Hyun;Kim, Chul-Hong;Kim, You-Jin;Choi, Kyung-Hee
    • Animal cells and systems
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    • 제12권2호
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    • pp.69-75
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    • 2008
  • The tumor suppressor and transcription factor p53 is a key modulator of cellular stress responses, and can trigger apoptosis in many cell types including neurons. In this study, we have shown that Microtubule-associated protein 1B(MAP1B) light chain interacts with tumor suppressor p53. MAP1B is one of the major cytoskeletal proteins in the developing nervous system and essential in forming axons during elongation. We also demonstrate that both p53 and MAP1B-LC1 interact in the nucleus in HEK 293 cells. Indeed, we show that the MAP1B-LC1 negatively regulates p53-dependent transcriptional activity of a reporter containing the p21 promoter. Consequently, MAP1B light chain binds with p53 and their interaction leads to the inhibition of doxorubicin-induced apoptosis in HEK 293 cells. Furthermore, these examinations might be taken into consideration when knock-down of MAP1B-LC1 is used as a cancer therapeutic strategy to enhance p53's apoptotic activity in chemotherapy.

Use of Coulomb-Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices and One-range Addition Theorems for Ψα-ETO in Evaluation of Potential of Electric Field Produced by Molecule

  • Guseinov, I.I.
    • Bulletin of the Korean Chemical Society
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    • 제30권11호
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    • pp.2617-2620
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    • 2009
  • Using Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices the series expansion formulae in terms of multicenter overlap integrals of three complete orthonormal sets of ${\psi}^{\alpha}$‒exponential type orbitals and linear combination coefficients of molecular orbitals are established for the potential of electrostatic field produced by the charges of molecule, where $\alpha$ = 1, 0, ‒1, ‒2,${\cdots}$. The formulae obtained can be useful for the study of interaction between atomic--molecular systems containing any number of closed and open shells when the ${\psi}^{\alpha}$‒exponential type basis functions and Coulomb-Yukawa like correlated interaction potentials are used in the Hartree-Fock-Roothaan and explicitly correlated approximations. The final results are valid for the arbitrary values of parameters of correlated interaction potentials and orbitals. As an example of application, the calculations have been performed for the potential energy of interaction between electron and molecule $H_2O$ using combined Hartree-Fock-Roothaan equations suggested by the author.