• Genomics & Informatics
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• 제5권1호
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• pp.24-29
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• 2007

Computational virtual screening has become an essential platform of drug discovery for the efficient identification of active candidates. Moleculardocking, a key technology of receptor-centric virtual screening, is commonly used to predict the binding affinities of chemical compounds on target receptors. Despite the advancement and extensive application of these methods, substantial improvement is still required to increase their accuracy and time-efficiency. Here, we evaluate several advanced structure-based virtual screening approaches for elucidating the rank-order activity of chemical libraries, and the quantitative structureactivity relationship (QSAR). Our results show that the ensemble-average free energy estimation, including implicit solvation energy terms, significantly improves the hit enrichment of the virtual screening. We also demonstrate that the assignment of quantum mechanical-polarized (QM-polarized) partial charges to docked ligands contributes to the reproduction of the crystal pose of ligands in the docking and scoring procedure.

• Biomolecules & Therapeutics
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• 제20권1호
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• pp.19-26
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• 2012

There are many cyclic peptides with diverse biological activities, such as antibacterial activity, immunosuppressive activity, and anti-tumor activity, and so on. Encouraged by natural cyclic peptides with biological activity, efforts have been made to develop cyclic peptides with both genetic and synthetic methods. The genetic methods include phage display, intein-based cyclic peptides, and mRNA display. The synthetic methods involve individual synthesis, parallel synthesis, as well as split-and-pool synthesis. Recent development of cyclic peptide library based on split-and-pool synthesis allows on-bead screening, in-solution screening, and microarray screening of cyclic peptides for biological activity. Cyclic peptides will be useful as receptor agonist/antagonist, RNA binding molecule, enzyme inhibitor and so on, and more cyclic peptides will emerge as therapeutic agents and biochemical tools.

• Current Research on Agriculture and Life Sciences
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• 제31권1호
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• pp.1-10
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• 2013

The exposure of food to ionizing radiation has been recognized as a safe and effective mode of food preservation in more than 55 countries. The benefits include eradication of insect pests, inactivation of food pathogens, extension of shelf-life, and improvement in food hygiene. Regulatory authorities around the world have emphasized the implementation of various national and international regulations to facilitate trade and development of consumers' confidence in purchasing irradiated foods. Therefore, the need for reliable irradiation detection methods has increased to enforce these regulations. At present, a number of promising analytical approaches have been developed and evaluated. Moreover, about 10 European Standards have been adopted as General CODEX Alimentarius methods for the detection of irradiated foodstuffs. However, most of these methods demand relatively expensive equipment and prolonged sample preparation. Therefore, simple and cost-effective approaches would be advantageous for rapid screening of foodstuffs. The suspected samples need to be analyzed further with more validated techniques to confirm the screening results. In this review, existing screening methods (i.e. physical, chemical, and biological) for the identification of irradiated foods have been outlined along with their principles, scopes and limitations.

• Molecules and Cells
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• 제43권9호
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• pp.804-812
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• 2020

In cells, proteins form macromolecular complexes to execute their own unique roles in biological processes. Conventional structural biology methods adopt a bottom-up approach starting from defined sets of proteins to investigate the structures and interactions of protein complexes. However, this approach does not reflect the diverse and complex landscape of endogenous molecular architectures. Here, we introduce a top-down approach called Electron Microscopy screening for endogenous Protein ArchitectureS (EMPAS) to investigate the diverse and complex landscape of endogenous macromolecular architectures in an unbiased manner. By applying EMPAS, we discovered a spiral architecture and identified it as AdhE. Furthermore, we performed screening to examine endogenous molecular architectures of human embryonic stem cells (hESCs), mouse brains, cyanobacteria and plant leaves, revealing their diverse repertoires of molecular architectures. This study suggests that EMPAS may serve as a tool to investigate the molecular architectures of endogenous macromolecular proteins.

• Journal of Microbiology and Biotechnology
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• 제34권7호
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• pp.1530-1543
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• 2024

With an increase in the commercialization of bioplastics, the importance of screening for plastic-degrading strains and microbes has emerged. Conventional methods for screening such strains are time-consuming and labor-intensive. Therefore, we suggest a method for quickly and effectively screening plastic-degrading microbial strains through dual esterase assays for soil and isolated strains, using p-nitrophenyl alkanoates as substrates. To select microbe-abundant soil, the total amount of phospholipid fatty acids (PLFAs) included in each soil sample was analyzed, and esterase assays were performed for each soil sample to compare the esterase activity of each soil. In addition, by analyzing the correlation coefficients and sensitivity between the amount of PLFAs and the degree of esterase activity according to the substrate, it was confirmed that substrate pNP-C2 is the most useful index for soil containing several microbes having esterase activity. In addition, esterase assays of the isolated strains allowed us to select the most active strain as the degrading strain, and 16S rRNA results confirmed that it was Bacillus sp. N04 showed the highest degradation activity for polybutylene succinate (PBS) as measured in liquid culture for 7 days, with a degradation yield of 99%. Furthermore, Bacillus sp. N04 showed degradation activity against various bioplastics. We propose the dual application of p-nitrophenyl alkanoates as an efficient method to first select the appropriate soil and then to screen for plastic-degrading strains in it, and conclude that pNP-C2 in particular, is a useful indicator.

• 대한화장품학회지
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• 제34권3호
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• pp.183-188
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• 2008

미백제를 선발하기 위해 주로 사용하는 현재의 방법은 in vitro 타이로시네이즈 활성 및 항산화능을 측정하는 것이다. 이 결과에 기초하여 다음 단계인 멜라노사이트에서의 멜라닌 생성량을 측정한다. 세포 내의 멜라닌 생성량 측정 법은 시간, 인력 및 숙련도가 요구된다. 따라서 초기 선발 방법의 신뢰성이 중요하다. 200개 중국시료 중 측정범위 내에서 세포독성이 없는 34개를 대상으로 세포 내 멜라닌량, 타이로시네이즈 활성, 항산화능의 상관관계를 조사하였다. 조사결과 직선의 상판관계를 확인할 수 없었다. 이 결과는 현재 선발방법의 한계 및 새로운 방법이 필요함을 보여주었다.

• Journal of Korean Biological Nursing Science
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• 제20권3호
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• pp.169-176
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• 2018

Purpose: This study was performed to elucidate whether the obesity or body image is a barrier to breast screening compliance in Korean women. Methods: We included 54,017 women aged between 35 to 70 years from the Korea Community Health Survey (KCHS) 2014 dataset. To identify whether a mutual relationship exists between weight perceptions and breast cancer screening rates, the participants were divided into three groups according to the level of concordance between Body Mass Index (BMI) and a subjective body image. Descriptive analyses, a chi-square test, and multivariate logistic regression analyses were performed. Results: After covariate adjustment, the screening rate of the overweight group was 1.09 times higher than the normal weight group (odds ratio [OR], 1.09; confidence interval [CI], 0.00-0.16; p= .038) and the severe obesity group was 1.20 times lower (OR, 0.83; CI, -0.36-0.00; p= .047). Weight misperception also had a significant influence on breast cancer screening. Especially, The overweight distortion group was less likely to undergo breast cancer screening (OR, 0.93; CI, -0.15-0.00; p= .037). Conclusion: Obesity and weight misperceptions are associated with lower compliance with breast cancer screening guidelines.

• 한국약용작물학회지
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• 제23권6호
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• pp.473-479
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• 2015

Background : To control ginseng gray mold, farmers have mainly used inorganic chemical based fungicides. The recent emergence of fungicide resistance has reduced the effectiveness of such control methods. Such pesticides also carry additional problems, such as diffuse pollution. Methods and Results : Six treatments of organic agricultural materials were tested for control of ginseng gray mold, CAPW (Chrysophanic acid + Phytoncide + Wood vinegar), EmEWV (Emodin + Ethanol + Wood vinegar), CEWV (Curcumin + Eugenol + Wood vinegar), Bacillus subtilis, soybean oil and sulfur. The control effect for gray mold by a single application of the agrochemical fungicide industrial Fenhexamid wettable powder (WP) was 84.4%. The control effect by CAPW, EmEWV and CEWV varied between 52.7 - 64.9%. The control effect by B. subtilis, soybean oil, and sulfur were 32.9 - 59.2%. Conclusions : In the field tests, CAPW showed the highest control effects when used before, and at first stage of disease incidence, against ginseng gray mold.

• 한국환경농학회지
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• 제30권1호
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• pp.82-88
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• 2011

현재 우리나라에서 널리 이용되고 있는 미생물학적 검사법을 이용하여 TCs 계열의 모화합물과 epimer에 대한 검출 그리고 이를 통한 모화합물과 epimer간의 상대적 생물학적 활성도를 확인하였다. 시험법의 관점에서 낮은 선택성과 낮은 민감도를 나타낸 균주는, 다양한 적용 가능 균주의 발굴 및 적용이 시험법 검증을 통해 이루어질 필요가 있다. 극단적으로 식품 중 epimer만이 잔류하여 미생물 시험에서 의양성이 나올 경우, 기기분석을 통해 확인 정량시 원물질이 검출되지 않는다면, 이는 분석화학과 독성학의 과학적 지식을 바탕으로 볼 때 제도적 맹점으로도 남을 수도 있다. 그리고, 현행 우리나라의 모화합물에 국한 된 잔류허용 기준은 활성이 있는 epimer나 대사산물까지 확대하여 검토 해 볼 필요가 있으며, 이는 최근 의약품류의 환경 중 잔류실태 조사, 환경 중 위해성 평가 및 관리를 위해서도 관리 대상물질을 과학적 근거에 따라 제시해 주는 중요한 자료가 된다.

• Journal of Applied Biological Chemistry
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• 제42권3호
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• pp.119-124
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• 1999

About two thirds of the naturally occurring antibiotics have been discovered from actinomycetes. Therefore, the probability of discovering further new antibiotics from actinomycetes is declining as many known metabolites are isolated repeatedly. However, various efforts leave been made in order to enhance the probability of discovering novel compounds. In the present study, we have developed new screening strategies based on the antibiotic biosynthetic pathway, and the genetic information, utilizing polymerase chain reaction. We have selected macrolide type polyketides. In order to divide the ansamycin group antibotic of macrolide type polyketides, we have selected 3-amino-5-hydroxybenzoic acid (AHBA) moiety which contains a biosynthetically unique structural element in the group as a target molecules. Oligonucleotide primers were designed to amplify DNA fragments of macrolide type polyketide synthase and AHBA synthase genes from fourteen actinomycetes species. This method was successfully applied to all three of the known macrolide type polyketide produccing actinomycetes tested. In addition, it also identified the presence of potential macrolide type polyketide producing genes from seven actinomycetes that were known to produce none of macrolide type polyketides, and AHBA biosynthetic genes in one actinomycetes. This technique is potentially useful for the screening of new antibiotices and cloning of their biosynthetic genes.