• 한국자기공명학회논문지
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• 제22권4호
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• pp.139-143
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• 2018

Short antimicrobial peptide, A4W, have been studied by molecular dynamics (MD) simulation in an explicit dodecylphosphocholine (DPC) micelle. Peptide was aligned with DPC micelle and transferred new peptide-micelle coordinates within the same solvent box using specific micelle topology parameters. After initial energy minimization and equilibration, the conformation and orientation of the peptide were analyzed from trajectories obtained from the RMD (restrained molecular dynamics) or the subsequent free MD. Also, the information of solvation in the backbone and the side chain of the peptide, hydrogen bonding, and the properties of the dynamics were obtained. The results showed that the backbone residues of peptide are either solvated using water or in other case, they relate to hydrogen bonding. These properties could be a critical factor against the insertion mode of interaction. Most of the peptide-micelle interactions come from the hydrophobic interaction between the side chains of peptide and the structural interior of micelle system. The interaction of peptide-micelle, electrostatic potential and hydrogen bonding, between the terminal residues of peptide and the headgroups in micelle were observed. These interactions could be effect on the structure and flexibility of the peptide terminus.

• 대한본초학회지
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• 제29권1호
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• pp.1-6
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• 2014

Objectives : Many of currently used anti-cancer drugs were developed to target cell death mechanisms and had serious side effects by causing damage to normal cells. Hangambujeongsan or Kangai Fuzheng Powder was a mixture based on the traditional Chinese medicine. It had been used in the local Chinese hospitals to treat cancer patients for decades and had shown a certain level of beneficial effects without major toxic effects. But its mechanism of action had not been elucidated yet. Thus this study aimed to investigate the effects of Kangai Fuzheng Powder in an in vitro experiment. Methods : Cancer lines or RAW264.7 mouse macrophage cells were treated with Kangai Fuzheng Powder. Cell viability was measured by MTT assay, and morphological observation was also performed. Gene expression of cytokines in macrophages was determined by real-time polymerase chain reaction. Phagocytic function assay was also performed in macrophage cells. Results : Kangai Fuzheng Powder had no direct detrimental effect on cancer cells. When macrophages were co-cultured with cancer cells, Kangai Fuzheng Powder had toxic effect on cancer cells. After exposing macrophages to Kangai Fuzheng Powder, macrophages transformed into activated form and the mRNA level of tumor necrosis factor-alpha, interleukin-1beta, interleukin-6, interleukin-10 and monocyte chemotactic protein-1 was significantly enhanced. Phagocytic activity of macrophages was dramatically potentiated. Conclusions : We demonstrated that anti-cancer effect of Kangai Fuzheng Powder was related to activation of macrophages including enhanced cytokine production and phagocytic function.

• 통합자연과학논문집
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• 제10권2호
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• pp.85-94
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• 2017

Fibroblast growth factor receptor (FGFR) belongs to the family of receptor tyrosine kinase. They play important roles in cell proliferation, differentiation, development, migration, survival, wound healing, haematopoiesis and tumorigenesis. FGFRs are reported to cause several types of cancers in humans which make it an important drug target. In the current study, HQSAR analysis was performed on a series of recently reported 1H-Pyrazolo [3,4-b]pyridine derivatives as FGFR antagonists. The model was developed with Atom (A) and bond (B) connection (C), chirality (Ch), hydrogen (H) and donor/acceptor (DA) parameters and with different set of atom counts to improve the model. A reasonable HQSAR model ($q^2=0.701$, SDEP=0.654, NOC=5, $r^2=0.926$, SEE=0.325, BHL=71) was generated which showed good predictive ability. The contribution map depicted the atom contribution in inhibitory effect. A contribution map for the most active compound (compound 24) indicated that hydrogen and nitrogen atoms in the side chains of ring B as well as hydrogen atoms in the side chain of ring C and the nitrogen atom in the ring D contributed positively to the activity in inhibitory effect whereas, the lowest active compound (compound 04) showed negative contribution to inhibitory effect. Thus results of our study can provide insights in the designing potent and selective FGFR kinase inhibitors.

• 대한약침학회지
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• 제16권2호
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• pp.46-54
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• 2013

Objective: This study was undertaken to isolate a fibrin(ogen)olytic enzyme from the snake venom of Gloydius blomhoffii siniticus and to investigate the enzymatic characteristics and hemorrhagic activity of the isolated enzyme as a potential pharmacopuncture agent. Methods: The fibrinolytic enzyme was isolated by using chromatography, sodium dodecyl sulfate-polyacrylamide gel electrophoresis, and fibrin plate assay. The characteristics of the enzyme were determined by using fibrin plate assay, protein hydrolysis analysis, and hemorrhage assay. Its amino acid composition was determined. Results: The fibrin(ogen)olytic enzyme with the molecular weight of 27 kDa (FE-27kDa) isolated from G. b. siniticus venom consisted of two heterogenous disulfide bond-linked polypeptides with the molecular weights of 15 kDa and 18 kDa. When more than $20{\mu}g$ of FE-27kDa was applied on the fibrin plate, fibrinolysis zone was formed as indicating its fibrinolytic activity. The fibrinolytic activity was inhibited completely by phenylmethanesulfonylfluoride (PMSF) and ethylenediaminetetraacetic acid (EDTA) and partially by thiothreitol and cysteine. Metal ions such as $Hg^{2+}$ and $Fe^{2+}$ inhibited the fibrinolytic activity completely, but $Mn^{2+}$ did not. FE-27kDa preferentially hydrolyzed ${\alpha}$-chain of fibrinogen and slowly hydrolyzed ${\beta}$-chain, but did not hydrolyze ${\gamma}$-chain. High-molecular-weight polypeptides of gelatin were hydrolyzed partially into polypeptides with molecular weights of more than 45 kDa. A dosage of more than $10{\mu}g$ of FE-27kDa per mouse was required to induce hemorrhage beneath the skin. Conclusion: FE-27kDa was a serine proteinase consisting of two heterogeneous polypeptides, hydrolyzed fibrin, fibrinogen, and gelatin, and caused hemorrhage beneath the skin of mouse. This study suggests that the potential of FE-27kDa as pharmacopuncture agent should be limited due to low fibrinolytic activity and a possible side effect of hemorrhage.

• Restorative Dentistry and Endodontics
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• 제31권2호
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• pp.133-139
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• 2006

본 연구의 목적은 첫째 임상에서 진료실에 노출된 가타파차 콘 표면의 오염 균종을 중합효소연쇄반응법 (polymerase chain reaction, PCR)을 이용해 동정하고, 둘째 이들 세균으로 오염시킨 가타파차 콘에 대해 2종의 소독제의 rapid sterilization 효과를 비교하였다. 또한 이들 소독제에 5분간 처리된 가타파차 콘 표면 성상의 변화를 주사전자현미경으로 관찰하였다. 진료실에 수 개월간 노출된 가타파차 콘 100개를 수거하여 배양지에 넣어 배양 후 universial primer를 사용한 PCR assay 를 통해 오염 균종을 동정하였다. 실험실 상에서 이 균종을 다시 배양하여 소독된 가타파차 콘에 접종하고 1주일간 배양한 후 2종의 소독제(5% NaOCl, 2% Chlorhexidine)에 1, 3, 5, 10 분간 담근 후 각 소독제의 종류와 적용시간에 따른 멸균 효과를 turbidity test 와 subculture 를 이용하여 평가하였다. 또한 각 소독제에 5분간 처리된 가타파차 콘 표면 성상의 변화를 주사전자현미경으로 관찰하였다. 중합효소연쇄반응법의 분석결과 17개의 가타 파차 콘이 오염된 것으로 나타났고 대부분이 Staphylococcus 계통이었으며, 2종의 소독제 모두 이들 균종에 대해 1분내에 멸균 효과를 나타냈다. 주사전자현미경상 NaOCl로 소독된 가타파차 콘 표면에는 cuboidal crystal 의 침전물이 전반적으로 관찰되었다. 본 연구 결과 2종의 소독제 모두 근관충전 전 가타파차 콘의 rapid sterilization 을 위해 유용하였으나 클로헥시딘으로 처리된 가타파차 콘이 크리스탈 침전물이 없는 좀더 깨끗한 표면을 갖는 것으로 나타났다.

• 한국균학회지
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• 제24권4호통권79호
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• pp.293-304
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• 1996

인삼포 토양으로부터 강력한 항진균력을 보이는 KS1 균주를 분리하고 Bacillus subtilis로 동정하였다. 온상시험에서 B. subtilis KS1의 배양액은 오이잿빛곰팡이병, 밀붉은녹병 등의 진균성 농작물병에 대하여 탁월한 방제효과를 나타내었다. 또한, B. subtilis KS1 배양액의 butanol 분획은 Botrytis maydis, Chytridium lagenarium, Candida albicans 등 식물 또는 사람의 병원성 진균을 비롯한 몇몇 진균류에 대하여 억제효과를 나타내었다. 이 균주가 생성하는 항진균물질을 pep-RPC reverse phase column과 ${\mu}$ Bondapak $C_{18}$ reverse phase column을 이용하여 분리 정제하였다. 정제된 항진균물질의 열안정성 및 pH 안정성을 조사한 결과, $-20-121^{\circ}C$와 pH 4.0-10.0의 범위에서 안정하였다. 이 물질의 조성 및 구조적 특징을 HPLC와 $^1H-,\;^1H-^1H-$, COSY, NOESY, COSY-NOESY 및 HOHAHA NMR spectroscopy를 통하여 각각 분석한 결과, B. subtilis가 생산하는 고리형 peptide 중 iturin A에 속하는 물질로 확인되었다. 그러나, 지금까지 알려진 iturin A계 물질들의 ${\beta}$-아미노산에 붙어 있는 탄화수소 사슬이 곁가지가 없거나 terminus 또는 subterminus에 1개의 $CH_3$ 곁가지를 갖는 것과는 달리, SW1의 ${\beta}$-아미노산은 2개의 $-CH_3$ 곁가지가 붙어 있는 탄화수소 사슬을 가짐이 확인되었다.

• Macromolecular Research
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• 제9권6호
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• pp.303-312
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• 2001

The fabrication of liquid crystal display (LCD) panels involves several thermal processes such as imidization of the alignment layer (AL) and annealing of the rubbed polyimide AL. The nature of these processes on the LC alignment, especially on the pretilt angle (Θ$\_$p/) has been systematically studied, employing various types of polyimide structures. The imidization effect depends on the nature of polyimid precursors; Θ$\^$p/ increases with the degree of the imidization for the main-chain type of ALs, due to the decrease in the surface polarity, but this relation is not applicable to the alkylated ones in which the steric effect at the AL surface by the aliphatic side chains is dominant. Annealing of the rubbed polyimide AL deteriorates its rubbing-induced molecular orientation and subsequently the overlying LC alignment, resulting in the decrease in Θ$\_$p/. Especially, annealing of the LC cell affects the LC-AL interaction as well as the AL orientation and thus its effect on LC alignment depends sensitively on the nature of LC-polyimide interface; aromatic moiety in the polyimide structure gives better thermal stability of LC alignment while fluorinated polyimide ALs induce the less stable alignment.

• 대한전기학회:학술대회논문집
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• 대한전기학회 2001년도 추계학술대회 논문집 전기물성,응용부문
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• pp.6-8
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• 2001

This report describes the effect of the blending of poly(trifluoropropylmethylvinylsiloxane) (PTFPMVS) with poly(dimethylsiloxane) (PDMS) on the surface properties such as water repellency using dynamic contact angle (DCA) measurement. We have investigated the surface molecular mobility of the PDMS/PTFPMVS blends via a DCA measurement and an adhesion tension relaxation. It could be shown that a flexible side-chain segment in PTFPMVS having higher surface energy, could be reoriented easily in water to decrease the interfacial tension of the polymer/water interface, which seems to play a major role at the decrease of the receding contact angle and the surface resistivity of PDMS/PTFPMVS blends.

• Bulletin of the Korean Chemical Society
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• 제23권9호
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• pp.1235-1267
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• 2002

A series of 2,5-dialkoxy substituted poly(1,4-phenylenevinylene) derivatives containing a rigid and bulky cyclohexyl group in the side chain, poly[2-(7-cyclohexylheptyloxy)-5-butoxy-1,4-phenylenevinylene] (PBCyHpPV), Poly[2-(6-cyclohexylmethoxyhexyloxy)-5-butoxy-1,4-phenylenevinylene] (PBCyHxPV), Poly[2,5-di-(6-cyclohexylmethoxy-hexyloxy)-1,4-phenylenevinylene] (PDCyHxPV) were synthesized via the Gilch polymerization. The synthesized polymers were soluble in common organic solvents and showed good thermal stability up to $370^{\circ}C$. The maximum absorption of PBCyHpPV, PBCyHxPV and PDCyHxPV as thin films was at 513 ㎚, 515 ㎚, 511 ㎚, respectively. Photoluminescence maximum emission of above polymers appeared at 590 ㎚, 597 ㎚, 590 ㎚, respectively. The electroluminescence (EL) maxima of the polymers appeared around 585-590 ㎚, and also showed another shoulder around 630 ㎚ strongly. PDCyHxPV showed the highest EL efficiency and EL power than those of other polymers due to the dilution effect of the two rigid and bulky cyclohexyl groups.

• 한국자기공명학회논문지
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• 제17권1호
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• pp.47-53
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• 2013

Four new cyclic peroxide compounds (1~4) were isolated from the marine sponge Plakortis simplex. Their structures including relative stereochemistry were determined by MS and NMR analysis. All compounds, a side carbon chain with 10 carbons, were very unstable. After transformation into methyl ester analogues, the structure determination was conducted. Compounds 1a and 2a are stereoisomers, assigned as $3S^*$, $4S^*$, $6R^*$ and $3R^*$, $4S^*$, $6R^*$, respectively. Similarly, compounds 3a and 4a, replaced the methoxy group with an aliphatic methyl, are also stereoisomers. Compounds 1a and 2a exhibited the strong antifungal effect against the fungus Candida albicans.