• 한국결정학회:학술대회논문집
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• 한국결정학회 2005년도 추계학술연구발표회 및 정기총회
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• pp.11-11
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• 2005

• BMB Reports
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• 제29권6호
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• pp.525-529
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• 1996

Ligand binding properties of muscarinic acetylcholine receptors (mAChRs) in the nematode Caenorhabditis elegans (C. elegans) were characterized by using filtration binding assays. Scatchard analysis using $[^{3}H]N-methylscopolamine$ ($[^{3}H]NMS$) showed that the dissociation constant ($K_d$) and the maximum binding value ($B_{max}$) were $3.3{\pm}0.8{\times}10^{10}$ M and $9.0{\pm}1.1$ fmol/mg protein, respectively. Binding competition experiments indicated that the affinities of C. elegans mAChRs to atropine, scopolamine, and oxotremorine were similar to those of mammalian mAChRs. Pirenzepine binding experiments revealed that the binding pattern of mAChRs in C. elegans closely resembled that of mAChRs in rat brain, suggesting that the receptors consist primarily of Ml subtype. The affinity of mAChRs for oxotrernorine was significantly affected by guanylylimidodiphosphate (Gpp(NH)p), a non hydrolyzable GTP analog, suggesting that mAChRs in C. elegans might be coupled to G proteins. The data presented here indicate the possibility that C. elegans provides a living animal model to study the action mode of the muscarinic cholinergic system.

• Bulletin of the Korean Chemical Society
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• 제31권5호
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• pp.1314-1318
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• 2010

The $[Ru(tpy)_2]Cl_2$ (tpy:2,2':6',2"-terpyridine) complex was synthesized and its structure was confirmed by $^1H$-NMR and elemental analysis. Its binding mode toward DNA was compared with the well-known $[Ru(bpy)_3]Cl_2$ (bpy:2,2-bipyridyl), using isotropic absorption, linear dichroism(LD) spectroscopy, and an energy minimization study. Compared to $[Ru(bpy)_3]^{2+}$, the $[Ru(tpy)_2]^{2+}$ complex exhibited very little change in its absorption pattern, especially in the MLCT band, upon binding to DNA. Furthermore, upon DNA binding, both Ru(II) complexes induced a decrease in the LD magnitude in the DNA absorption region. The $[Ru(tpy)_2]^{2+}$ complex produced a strong positive LD signal in the ligand absorption region, which is in contrast with the $[Ru(bpy)_3]^{2+}$ complex. Observed spectral properties led to the conclusion that the interaction between the ligands and DNA bases is negligible for the $[Ru(tpy)_2]^{2+}$ complex, although it formed an adduct with DNA. This conclusion implies that both complexes bind to the surface of DNA, most likely to negatively charged phosphate groups via a simple electrostatic interaction, thereby orienting to exhibit the LD signal. The energy minimization calculation also supported this conclusion.

• Asian Pacific Journal of Cancer Prevention
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• 제13권11호
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• pp.5605-5611
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• 2012

Background: In the last two decades, pioneering research on anti-tumour activity of saffron has shed light on the role of crocetin, picrocrocin and safranal, as broad spectrum anti-neoplastic agents. However, the exact mechanisms have yet to be elucidated. Identification and characterization of the targets of bioactive constituents will play an imperative role in demystifying the complex anti-neoplastic machinery. Methods: In the quest of potential target identification, a dual virtual screening approach utilizing two inverse screening systems, one predicated on idTarget and the other on PharmMapper was here employed. A set of target proteins associated with multiple forms of cancer and ranked by Fit Score and Binding energy were obtained from the two independent inverse screening platforms. The validity of the results was checked by meticulously analyzing the post-docking binding pose of the picrocrocin with Hsp90 alpha in AutoDock. Results: The docking pose reveals that electrostatic and hydrogen bonds play the key role in inter-molecular interactions in ligand binding. Picrocrocin binds to the Hsp90 alpha with a definite orientation appropriate for nucleophilic attacks by several electrical residues inside the Hsp90-alpha ATPase catalytic site. Conclusion: This study reveals functional information about the anti-tumor mechanism of saffron bioactive constituents. Also, a tractable set of anti-neoplastic targets for saffron has been generated in this study which can be further authenticated by in vivo and in vitro experiments.

• 한국정보과학회논문지:정보통신
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• 제32권3호
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• pp.370-381
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• 2005

이동 IP는 인터넷에서 호스트의 이동성을 제공하기 위한 효율적이고 확장성 있는 기법이다 이동 IP를 이용하여, 이동노드는 If주소의 변경없이 인터넷에서 이동할 수 있다. 하지만, 이동 IP는 위치등록을 위한 높은 통신비용을 요구한다. 이러한 통신비용을 감소시키기 위하여 이동 사용자들의 통신패턴을 조사해본 결과, 이동 사용자들이 실제 통신하는 시간이 많지 않다는 사실에 주목하게 되었다. 실제, 이동노드가 통신하지 않는 유휴상태에서 이동중인 이동노드는 위치등록을 위한 바인딩 갱신 메시지를 흠 에이전트에게 보낼 필요가 없다. 이러한 관점에 의해서, 본 논문에서는 계충적 이동 IPv6 환경에서 포워딩 포인터를 사용하여 통신 비용을 최소화하는 갱신지연전략을 제안한다. 제안 기법은 이동중인 이동노드가 통신하지 않는 동안 발생하는 불필요한 바인딩 갱신 메시지를 제거함으로써 통신비용을 칙소화함에 있다. 제안기법에서 바인딩 갱신 메세지는 이동노드가 통신하는 무휴상태에서만 전송된다. 이동노드가 유휴상태일 경우, 바인딩 갱신 메세지는 포워딩 포인터를 이용하여 무휴상태가 될 때까지 지연된다. 따라서, 이동노드가 유휴상태인 경우 불필요한 바인딩 갱신 메시지를 제거함으로써 위치등록 비용을 감소시킬 수 있다. 또한, 이동노드가 유휴상태일때 핑퐁효과로부터 발생되는 불필요한 위치등록 비용을 감소시킬 수 있다. 이산 분석 모델을 이용하여 분석한 결과는 제안 기법을 이용하여 위치 둥록 비용을 감소시킬 수 있음을 보여준다.

• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3597-3600
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• 2012

Thrombin binding aptamter (TBA-15) is a 15-mer guanine-rich oligonucleotide. This DNA apamer specifically binds to the thrombin protein involved in blood coagulation. Using extensive umbrella sampling molecular dynamics simulation method at all atom level, we investigated the potential of mean force (PMF) upon pulling the DNA aptamer from the binding mode of aptamer/thrombin complex. From this calculation, the free energy cost for a full dissociation of this aptamer/protein complex is 17 kcal/mol, indicating a substantial binding affinity of TBA-15. Interestingly, this PMF reveals noticeable plateau regions along the pulling coordinate. Possible structural changes of this complex in the plateau were investigated in details.

• 한국염색가공학회지
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• 제24권4호
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• pp.239-246
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• 2012

The binding isotherms of ionic dyes with Poly(vinylpyrrolidone) in aqueous solution were determined by the dynamic dialysis technique. The shape of the isotherms of cationic dye, C. I. Basic Red 18 with poly(vinlypyrrolidone) showed a partition type. It suggests that the binding involves a non-cooperative mode. Isotherms of an anion dye, a synthesized dye by coupling of diazotized m-trifluoromethylaniline with 2-naphthol-6-sulfonic acid, were sigmoid type and showed multimode interaction. The results were interpreted by the McGhee von Hippel theory. The thermodynamic parameters for the complex formation of the dyes-polymer were calculated from their temperature dependences of the intrinsic binding constant.

• 한국자기공명학회논문지
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• 제22권4호
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• pp.144-148
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• 2018

Catalytic enzyme Pyrazinamidase (PncA) from Mycobacterium tuberculosis can hydrolyze substrate pyrazinamide (PZA) to pyrazoic acid (POA) as active form of compound. Using NMR spectroscopy, pH-dependent catalytic properties were monitored including metal binding mode during converting PZA to POA. There seems to be a conformational change through zinc binding in active site from the perturbation of peak intensities in series of 2D HSQC spectra the conformation changes through zinc binding.

• Bulletin of the Korean Chemical Society
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• 제33권5호
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• pp.1597-1602
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• 2012

In this study, we determined the 3D-structure of Arabidopsis thaliana KAPAS by homology modeling. We then investigated the binding mode of compounds obtained from in-house library using computational docking methods. From the flexible docking study, we achieved high dock scores for the active compounds denoted in this study as compound $\mathbf{3}$ and compound $\mathbf{4}$. Thus, we highlight the flexibility of specific residues, Lys 312 and Phe 172, when used in active sites.

• Journal of Microbiology and Biotechnology
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• 제15권1호
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• pp.35-39
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• 2005

To identify the activity of recombinant subtilisins (subtilisin BPN' and subtilisin Carlsberg), three different zymography methods, SDS-fibrin zymography (SDS-FZ), reverse fibrin zymography (RFZ), and isoelectric focusingfibrin zymography (IEF-FZ), were used. The recombinant subtilisins BPN' and Carlsberg did not migrate into the electrophoretic field based on a Laemmli buffer system, instead forming a "binding mode" at the top part of the separating gels with the SDS-FZ and RFZ techniques. Yet, this problem was resolved when using IEF-FZ with a pH range from 3 to 10. In addition, all these methods enabled the activity of a recombinant pro-subtilisin DJ-4 to be detected without a refolding pathway.