• Genomics & Informatics
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• 제19권1호
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• pp.7.1-7.13
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• 2021

Levodopa (L-DOPA) therapy is normally practised to treat motor pattern associated with Parkinson disease (PD). Additionally, several inhibitory drugs such as Entacapone and Opicapone are also cosupplemented to protect peripheral inactivation of exogenous L-DOPA (~80%) that occurs due to metabolic activity of the enzyme catechol-O-methyltransferase (COMT). Although, both Entacapone and Opicapone have U.S. Food and Drug Administration approval but regular use of these drugs is associated with high risk of side effects. Thus, authors have focused on in silico discovery of phytochemicals and evaluation of their effectiveness against human soluble COMT using virtual screening, molecular docking, drug-like property prediction, generation of pharmacophoric property, and molecular dynamics simulation. Overall, study proposed, nine phytochemicals (withaphysalin D, withaphysalin N, withaferin A, withacnistin, withaphysalin C, withaphysalin O, withanolide B, withasomnine, and withaphysalin F) of plant Withania somnifera have strong binding efficiency against human COMT in comparison to both of the drugs i.e., Opicapone and Entacapone, thus may be used as putative bioenhancer in L-DOPA therapy. The present study needs further experimental validation to be used as an adjuvant in PD treatment.

• 연구윤리
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• 제3권1호
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• pp.7-11
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• 2022

Purpose: The purpose of this study is to derive clues about the development direction of research ethics and areas of interest which has recently become a social issue in Korea by confirming overseas research trends. Research design, data and methodology: We collected 2,760 articles in scienceON, which including 'research ethics' in their paper. For analysis, frequency analysis, word clouding, keyword association analysis, and LDA topic modeling were used. Results: It was confirmed that many of the papers were published in medical, bio, pharmaceutical, and nursing journals and its interest has been continuously increasing. From word frequency analysis, many words of medical fields such as health, clinical, and patient was confirmed. From topic modeling, 7 topics were extracted such as ethical policy development and human clinical ethics. Conclusions: We founded that overseas research trends on research ethics are related to basic aspects than Korea. This means that a fundamental approach to ethics and the application of strict standards can become the basis for cultivating an overall ethical awareness. Therefore, academic discussions on the application of strict standards for publishing ethics and conducting researches in various fields where community awareness and social consensus are necessary for overall ethical awareness.

• Genomics & Informatics
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• 제21권3호
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• pp.41.1-41.11
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• 2023

The Dengue virus M protein is a 75 amino acid polypeptide with two helical transmembranes (TM). The TM domain oligomerizes to form an ion channel, facilitating viral release from the host cells. The M protein has a critical role in the virus entry and life cycle, making it a potent drug target. The oligomerization of the monomeric protein was studied using ab initio modeling and molecular dynamics simulation in an implicit membrane environment. The representative structures obtained showed pentamer as the most stable oligomeric state, resembling an ion channel. Glutamic acid, threonine, serine, tryptophan, alanine, isoleucine form the pore-lining residues of the pentameric channel, conferring an overall negative charge to the channel with approximate length of 51.9 Å. Residue interaction analysis for M protein shows that Ala94, Leu95, Ser112, Glu124, and Phe155 are the central hub residues representing the physicochemical interactions between domains. The virtual screening with 165 different ion channel inhibitors from the ion channel library shows monovalent ion channel blockers, namely lumacaftor, glipizide, gliquidone, glisoxepide, and azelnidipine to be the inhibitors with high docking scores. Understanding the three-dimensional structure of M protein will help design therapeutics and vaccines for Dengue infection.

• Journal of Ginseng Research
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• 제47권5호
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• pp.615-621
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• 2023

Korean Red Ginseng (KRG) plays a key role in heme oxygenase (HO)-1 induction under physical and moderate oxidative stress conditions. The transient and mild induction of HO-1 is beneficial for cell protection, mitochondrial function, regeneration, and intercellular communication. However, chronic HO-1 overexpression is detrimental in severely injured regions. Thus, in a chronic pathological state, diminishing HO-1-mediated ferroptosis is beneficial for a therapeutic approach. The molecular mechanisms by which KRG protects various cell types in the central nervous system have not yet been established, especially in terms of HO-1-mediated mitochondrial functions. Therefore, in this review, we discuss the multiple roles of KRG in the regulation of astrocytic HO-1 under pathophysiological conditions. More specifically, we discuss the role of the KRG-mediated astrocytic HO-1 pathway in regulating mitochondrial functions in acute and chronic neurodegenerative diseases as well as physiological conditions.

• 생명과학회지
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• 제18권10호
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• pp.1442-1446
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• 2008

본 연구는 10개의 Microsatellite를 이용하여 국내 한우집 단 586두(경기: 100, 전남: 100, 전북: 100, 경남: 100, 경북:86, 강원: 100)와 보증종모우 집단(39두)간의 유전적 거리추정 및 계통지도의 작성을 통해 보증종모우 집단과 지역별 한우집단의 유전적 특성과 유연관계 분석을 실시하였다. 10개의 MS marker의 분석 결과 기대이형접합도의 경우 경남지역에서 가장 높은 0.780을 나타내었으며 종모우 집단에서 가장 낮은 0.760을 나타내었다. 관측된 이형접합도의 경우 종모우 집단에서 가장 높은 0.818을 나타내었으며 경북지역에서 가장 낮은 0.721을 나타내었다. 검출된 대립유전자의 수에서는 것으로 확인 되었다. 종모우 집단은 가장 높은 관측이형접합도를 나타냈음에도 불구하고 가장 낮은 대립유전자의 수를나타내고 음을 확인하였다. 7개의 집단 간의 유전적 유연관계 분석한 결과 강원도 집단의 한우와 경기, 경북의 유전적 거리가 각 0.021로 가장 가까운 것으로 확인 되었으며 경기와 경북 간의 유전적 거리는 0.032인 것으로 가장 먼 것으로 확인 되었다. 또한 경북은 전남과도 0.032의 먼 유전적 거리를 나타내고 있음을 확인하였다. 종모우 집단의 경우 각 지역별 집단 간의 유전적 거리에 비해 상당히 큰 차이의 유전적 거리를 나타내고 있는데 이는 각 지역별 암소집단에 소수의 종모우를 이용해 계획 교배를 실시하고 있어 나타난 것으로 사료된다. 각 개체들 간의 유전적 거리에 대한 추정값을 계산하여 개체별 분지도를 작성한 결과 같은 지역 내의몇몇 개체들이 그룹을 이루어 존재하기는 하지만 일반적으로 넓게 분포되어 있어 각 지역별로 그룹을 이루어 존재하고 있다고 보기엔 어려움이 있음을 확인 하였다. 반면 종모우 집단의 경우 크게 두개의 그룹을 이루어 분지도 내에 분포하고 있음을 확인 할 수 있었다. 따라서 종모우의 유전적 배경이 상당히 좁게 나타나고 있음을 확인 할 수 있었으며 이러한 결과로 인해 국내의 유전자원의 다양성이 작아질 수도 있을 것으로 추정된다. 따라서 국내 유전자원의 다양성 보존을 위해 종모우의 선발 및 사업 추진에 있어 대책을 마련하기 위한 고찰이 진행되어질 필요가 있는 것으로 사료된다.

• BMB Reports
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• 제55권6호
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• pp.275-280
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• 2022

The treatment of atopic dermatitis (AD) is challenging due to its complex etiology. From epidermal disruption to chronic inflammation, various cells and inflammatory pathways contribute to the progression of AD. As with immunosuppressants, general inhibition of inflammatory pathways can be effective, but this approach is not suitable for long-term treatment due to its side effects. This study aimed to identify a plant extract (PE) with anti-inflammatory effects on multiple cell types involved in AD development and provide relevant mechanistic evidence. Degranulation was measured in RBL-2H3 cells to screen 30 PEs native to South Korea. To investigate the anti-inflammatory effects of Parasenecio auriculatus var. matsumurana Nakai extract (PAE) in AD, production of cytokines and nitric oxide, activation status of FcεRI and TLR4 signaling, cell-cell junction, and cell viability were evaluated using qRT-PCR, western blotting, confocal microscopy, Griess system, and an MTT assay in RBL-2H3, HEK293, RAW264.7, and HaCaT cells. For in vivo experiments, a DNCBinduced AD mouse model was constructed, and hematoxylin and eosin, periodic acid-Schiff, toluidine blue, and F4/80-staining were performed. The chemical constituents of PAE were analyzed by HPLC-MS. By measuring the anti-degranulation effects of 30 PEs in RBL-2H3 cells, we found that Paeonia lactiflora Pall., PA, and Rehmannia glutinosa (Gaertn.) Libosch. ex Steud. show an inhibitory activity of more than 50%. Of these, PAE most dramatically and consistently suppressed cytokine expression, including IL-4, IL-9, IL-13, and TNF-α. PAE potently inhibited FcεRI signaling, which mechanistically supports its basophil-stabilizing effects, and PAE downregulated cytokines and NO production in macrophages via perturbation of toll-like receptor signaling. Moreover, PAE suppressed cytokine production in keratinocytes and upregulated the expression of tight junction molecules ZO-1 and occludin. In a DNCB-induced AD mouse model, the topical application of PAE significantly improved atopic index scores, immune cell infiltration, cytokine expression, abnormal activation of signaling molecules in FcεRI and TLR signaling, and damaged skin structure compared with dexamethasone. The anti-inflammatory effect of PAE was mainly due to integerrimine. Our findings suggest that PAE could potently inhibit multi-inflammatory cells involved in AD development, synergistically block the propagation of inflammatory responses, and thus alleviate AD symptoms.

• 한국미생물·생명공학회지
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• 제42권4호
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• pp.347-353
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• 2014

본 연구는 인삼의 주요성분인 ginsenoside Rb1으로부터 보다 높은 생리기능성을 갖는 것으로 알려져 있는 compound K를 생산하기 위하여 Aspergillus usamii KCTC 6954에서 유래된 ${\beta}$-glucosidase를 사용하여 생물전환을 실시하였다. 15일 동안의 배양 중, 효소활 성 측정은 ${\rho}$-nitrophenyl-${\beta}$-glucopyranoside를 기질로 하여 분해 생성되는 ${\rho}$-nitrophenol (${\rho}NP$)을 비색계로 측정함으로써 실시되었다. 그 결과로서, 균주의 성장 속도는 접종 후 6일 후 최대로 나타났으며 이때의 ${\beta}$-glucosidas 활성도는 $175.93{\mu}M\;ml^{-1}min^{-1}$로 나타났다. 또 한 효소 반응의 최적 조건은 pH 6.0 이내에서는 $60^{\circ}C$인 것으로 나타났다. 배양 중 ginsenosides 분석 결과, 배양 9일 후에는 Rb1는 Rd 로 전환되고 15 days 후에는 compound K로 순차적으로 전환되는 것으로 나타났다. 효소반응에 있어서는 Rb1는 1시간 이내에 ginsenoside Rd로 전환되었고 8시간 이후에 최종산물인 compound K가 측정되었다. 본 연구결과로부터 Rb1으로부터 주요 생물학적 전환 경로는 $Rb1{\rightarrow}Rd{\rightarrow}F2{\rightarrow}$compound K로 나타났으며 이는 차후 Rd나 compound K와 같이 강한 생리기능성을 갖지만 자연에 미 량 존재하는 물질의 대량생산에 응용될 수 있을 것으로 기대된다.

• Bulletin of the Korean Chemical Society
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• 제29권8호
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• pp.1505-1509
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• 2008

Comparative molecular simulations were performed to establish molecular interaction and inhibitory effect of flavonoid myricetin on formation of amyloid fibris. For computational comparison, the conformational stability of myricetin with amyloid $\beta$ -peptide (A$\beta$ ) and $\beta$ -amyloid fibrils (fA$\beta$) were traced with multiple molecular dynamics simulations (MD) using the CHARMM program from Monte Carlo docked structures. Simulations showed that the inhibition by myricetin involves binding of the flavonoid to fA$\beta$ rather than A$\beta$ . Even in MD simulations over 5 ns at 300 K, myricetin/fA$\beta$ complex remained stable in compact conformation for multiple trajectories. In contrast, myricetin/A$\beta$ complex mostly turned into the dissociated conformation during the MD simulations at 300 K. These multiple MD simulations provide a theoretical basis for the higher inhibitory effect of myricetin on fibrillogenesis of fA$\beta$ relative to A$\beta$ . Significant binding between myricetin and fA$\beta$ observed from the computational simulations clearly reflects the previous experimental results in which only fA$\beta$ had bound to the myricetin molecules.

• Bulletin of the Korean Chemical Society
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• 제25권2호
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• pp.216-220
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• 2004

${\beta}$-CD and CM- ${\beta}$-CD as chiral NMR shift agents were used to resolve the enantiomers of noradrenaline (NA). The stoichiometry of each complex formed between the CDs and the enantiomers of NA was found to be 1 : 1 through the continuous variation plots. The binding constants (K) of the complexes were determined from $^1H$ NMR titration curves. This result indicated that both ${\beta}$-CD and CM- ${\beta}$-CD formed the complexes with the S(+)-NA more preferentially than its R(-)-enantiomer. The K values for the complexes with ${\beta}$-CD ($K_{S(+)}$ = 537 $M^{-1}$ and $K_{R(-)}$ = 516 $M^{-1}$ was larger than those with CM- ${\beta}$-CD ($K_{S(+)}$ = 435 $M^{-1}$ and $K_{R(-)}$ = 313 $M^{-1}$), however, enantioselectivity (${\alpha}$) of S(+)- and R(-)-NA to CM- ${\beta}$-CD ( ${\alpha}$ = 1.38) was larger than that to ${\beta}$-CD ( ${\alpha}$ = 1.04), indicating that CM- ${\beta}$-CD was the better chiral NMR solvating agents for the recognition of the enantiomers of NA. Two dimensional rotating frame nuclear Overhauser enhancement spectroscopy (ROESY) experiments were also performed to explain the binding properties in terms of spatial fitting of the NA molecule into the macrocyclic cavities.

• 한국콘텐츠학회논문지
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• 제5권6호
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• pp.31-40
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• 2005

포스트 게놈 시대에는 단백질에 대한 연구의 필요성이 증대되고 있다. 특히 단백질-단백질 상호작용 및 단백질 네트워크에 대한 연구를 기반으로 전체 생물 체계를 분석하는 연구가 중요하게 대두되고 있다. 기존에 생물학자들이 실험을 통해서 증명한 사실들을 논문이나 기타 매체를 통해서 공개를 하고 있다. 하지만 공개된 정보의 양이 방대하므로 생물학자들이 정보를 효율적으로 이용하지 못하는 경우가 많다. 다행히도 인터넷의 발달로 하루에도 수 없이 쏟아져 나오는 연구 성과들에 쉽게 접근이 가능해졌다. 이러한 매체로부터 생물학적 의미를 가지는 정보를 효과적으로 추출하는 일이 중요하게 대두되었다. 따라서 본 연구에서는 인터넷상에 공개된 다량의 논문 및 기타 정보 매체로부터 단백질 정보를 추출한 데이터베이스로부터 단백질 네트워크를 구성하고, 단백질 네트워크를 통해서 생물학적 의미를 가지는 여러가지 경로 분석 알고리즘을 설계하고 구현한다.