• Asian Pacific Journal of Cancer Prevention
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• 제17권6호
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• pp.2883-2888
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• 2016

Background: Breast cancer (BC) is a serious lifestyle disease. There are several prognostic biomarkers like nuclear receptors whose over-expression is associated with BC characteristics. These biomarkers can be blocked by compounds with anti-cancer potential but selection must be made on the basis of no adverse side effects. This study is focused on finding of compounds from a plant source garlic. Materials and Methods: Twenty compounds from garlic and five targets considered involved in BC were retrieved from Pubchem database and Protein Data Bank respectively. They were docked using Accelrys Discovery Studio (DS) 4.0. The compounds which showed interaction were checked for drug likeliness. Results: Docking studies and ADMET evaluation revealed twelve compounds to be active against the targets. All the compounds displayed highly negative dock scores which indicated good interactions. Conclusions: The results of this study should help researchers and scientists in the pharmaceutical field to identify drugs based on garlic.

• 한국해안·해양공학회논문집
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• 제24권4호
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• pp.235-246
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• 2012

연안방재계획 수립을 위한 기초자료 생성의 일환으로 태풍에 의한 해일 범람모의를 수행하였다. 통상적인 침수-노출 처리가 불가한 직립안벽을 갖는 항만역의 특징이 반영되도록 가상의 내부제방 개념을 도입하여 해석하였다. 목포항에 대한 실제해역 적용에 앞서 단순해역에서 다수의 적용성 평가를 통해 내부제방의 폭은 1 m가 적정한 것으로 평가되었다. 해일범람으로 인한 침수면적과 침수심 산정에 민감하게 작용하는 육역의 침수-노출 처리기법에서의 최소침수심은 격자에 의존적이나 10 m 내외의 유한요소 상세격자에서는 0.01 m가 적정한 것으로 판단된다. 기존 태풍경로에 준거한 100년 빈도급 중심기압과 최대풍속을 가지며 비대칭 경도풍과 파랑효과가 고려된 가상태풍의 내습에 따른 목포해역의 침수예상역이 모의되었다. 침수면적은 기존 연구결과와 유사성을 나타내지만 항만권역 일부에서 확대 가능성이 있는 것으로 평가된다.

• 약학회지
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• 제53권4호
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• pp.222-227
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• 2009

Human topoisomerase I (Topo I) plays a pivotal role in cell replication, transcription and repair and, therefore, is an important anti-cancer target. 20S-camptothecin (CPT) is a representative Topo I inhibitor. Compounds belonging to CPT family inhibit the religation step of Topo I-DNA by binding to the DNA cleavage site. Computational docking studies with Surflex-Dock were carried out to investigate the binding modes between Topo I-DNA binary complex structure and the ligand such as 20S-CPT and 9,10-substituted 20S-CPT analogues. The docking results demonstrated that most of the compounds with $IC_{50}$ value under $0.5{\mu}M$ intercalated exactly between the -1 and +1 DNA bases, deeply toward the cleavage site. The complex was stabilized by hydrogen-bonding and hydrophobic interactions with both the enzyme and the DNA. The compounds with $IC_{50}$ value above $0.5{\mu}M$ were poorly docked and did not intercalate. In addition, the docking results confirmed the overall correlation between the $IC_{50}$ values and docking scores, indicating the possible use of the modeling for the prediction of biological activity and design of potential inhibitors.

• 한국조경학회지
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• 제42권4호
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• pp.76-88
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• 2014

본 연구의 목적은 농어업유산과 경관의 관계 규명을 통하여 농어업유산의 경관특성요소를 도출하고, 이를 바탕으로 한국농어업유산 제1호로 지정받았으며, 국내에서는 처음으로 세계중요농업유산(GIAHS)에 등재된 청산도의 경관특성요소를 유형화한 후, 이에 대하여 방문객들이 중요시 여기는 인자와 만족하는 인자 간의 차이를 파악함으로써, 한국농어업유산으로 지정된 청산도의 경관 보존 및 관리를 위한 우선순위를 제시하는 것이다. 이를 위하여 농어업유산과 경관의 관계 규명 및 농어업유산의 경관특성요소 도출을 위한 문헌고찰, 청산도의 경관특성 요소를 도출하기 위한 현장답사, 청산도의 경관특성요소에 대한 중요도-만족도 설문조사를 실시하였고, SPSS 20.0을 활용하여 신뢰도분석, 기술통계분석, IPA 분석을 실시하였으며, 그 결과는 다음과 같다. 1사분면에 분포하여 지속적 노력을 요하는 인자는 유채꽃밭, 바다, 청보리밭, 구들장논, 방파제와 등대, 전복양식장, 돌집, 초가집, 해안도로, 슬로길, 성서마을 돌담길, 주민농업행위로 분석되었다. 2사분면에 분포하여 집중적 관리전략이 필요한 인자로는 주변산지, 선착장, 도청항, 선박들, 수산물시장, 독살이돌담, 원색지붕농가, 느린섬여행학교, 펜션과 카페, 버스정류장, 정자목, 횟집거리, 해수욕장, 촬영지로 분석되었다. 3사분면에 분포하여 관리 조절이 필요한 인자는 소나무숲, 해변, 갯벌, 마늘밭, 비닐하우스, 곡식건조장, 미역 건조장, 문화유산전시장, 초분, 당리굿, 장터, 주민어업행위, 주민산업행위, 주민일상행위, 선착장 방문 행위, 슬로길 산책 행위, 특산물 섭취 쇼핑 행위, 농어업 체험 행위로 분석되었다. 4사분면에 분포하여 과잉 노력으로 분석된 요인은 도출되지 않았다.

• Toxicological Research
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• 제24권2호
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• pp.109-112
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• 2008

The G184C and G134A single nucleotide polymorphisms(SNPs) of the CYP1A1 gene result in Ala62Pro and Gly45Asp substitutions, respectively. Here, we tested whether these SNPs are associated with an alteration in lung cancer incidence. We examined 80 Korean subjects with lung cancer and 240 age- and sex-matched controls. For each subject, the CYP1A1 gene was PCR amplified and sequenced. We observed that the odds ratio(OR) for lung cancer was 3.37 higher in subjects with the G184C polymorphism than in controls(95% confidence interval(CI), $0.89{\sim}12.73$, P=0.07). In contrast, the OR for lung cancer was 1.23 in subjects with the G134A polymorphism compared to controls(95% CI, $0.68{\sim}2.20$, P=0.49). The G184C polymorphism exacerbated the effects of smoking on lung cancer development. Gene-smoking interaction analyses revealed that past or present smokers with the G184C polymorphism had a higher incidence of lung cancer(OR, 24.72; 95% CI, $4.48{\sim}136.31$; P<0.01) than control smokers(OR, 6.65; 95% CI, $2.72{\sim}16.28$; P<0.01). However, there was only a slight difference in the ORs for lung cancer between control smokers and smokers with the G134A polymorphism. These findings suggest that the G184C polymorphism, but not the G134A polymorphism, is associated with an increased risk of lung cancer.

• Genomics & Informatics
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• 제14권3호
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• pp.104-111
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• 2016

Zika virus (ZIKV) is a mosquito borne pathogen, belongs to Flaviviridae family having a positive-sense single-stranded RNA genome, currently known for causing large epidemics in Brazil. Its infection can cause microcephaly, a serious birth defect during pregnancy. The recent outbreak of ZIKV in February 2016 in Brazil realized it as a major health risk, demands an enhanced surveillance and a need to develop novel drugs against ZIKV. Amodiaquine, prochlorperazine, quinacrine, and berberine are few promising drugs approved by Food and Drug Administration against dengue virus which also belong to Flaviviridae family. In this study, we performed molecular docking analysis of these drugs against nonstructural 3 (NS3) protein of ZIKV. The protease activity of NS3 is necessary for viral replication and its prohibition could be considered as a strategy for treatment of ZIKV infection. Amongst these four drugs, berberine has shown highest binding affinity of -5.8 kcal/mol and it is binding around the active site region of the receptor. Based on the properties of berberine, more similar compounds were retrieved from ZINC database and a structure-based virtual screening was carried out by AutoDock Vina in PyRx 0.8. Best 10 novel drug-like compounds were identified and amongst them ZINC53047591 (2-(benzylsulfanyl)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one) was found to interact with NS3 protein with binding energy of -7.1 kcal/mol and formed H-bonds with Ser135 and Asn152 amino acid residues. Observations made in this study may extend an assuring platform for developing anti-viral competitive inhibitors against ZIKV infection.

• Genomics & Informatics
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• 제21권1호
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• pp.9.1-9.13
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• 2023

Matrix metalloproteinase-9 (MMP-9) is a zinc and calcium-dependent proteolytic enzyme involved in extracellular matrix degradation. Overexpression of MMP-9 has been confirmed in several disorders, including cancers, Alzheimer's disease, autoimmune diseases, cardiovascular diseases, and dental caries. Therefore, MMP-9 inhibition is recommended as a therapeutic strategy for combating various diseases. Cinnamic acid derivatives have shown therapeutic effects in different cancers, Alzheimer's disease, cardiovascular diseases, and dental caries. A computational drug discovery approach was performed to evaluate the binding affinity of selected cinnamic acid derivatives to the MMP-9 active site. The stability of docked poses for top-ranked compounds was also examined. Twelve herbal cinnamic acid derivatives were tested for possible MMP-9 inhibition using the AutoDock 4.0 tool. The stability of the docked poses for the most potent MMP-9 inhibitors was assessed by molecular dynamics (MD) in 10 nanosecond simulations. Interactions between the best MMP-9 inhibitors in this study and residues incorporated in the MMP-9 active site were studied before and after MD simulations. Cynarin, chlorogenic acid, and rosmarinic acid revealed a considerable binding affinity to the MMP-9 catalytic domain (ΔG_binding < -10 kcal/ mol). The inhibition constant value for cynarin and chlorogenic acid were calculated at the picomolar scale and assigned as the most potent MMP-9 inhibitor from the cinnamic acid derivatives. The root-mean-square deviations for cynarin and chlorogenic acid were below 2 Å in the 10 ns simulation. Cynarin, chlorogenic acid, and rosmarinic acid might be considered drug candidates for MMP-9 inhibition.

• 대한환경공학회지
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• 제38권4호
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• pp.184-192
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• 2016

수심에 따른 수질 변동을 모니터링할 수 있는 수심 프로파일 모니터링시스템을 개발하여 대하천의 현장에 적용하고자 하였다. 이를 위하여 하천의 수생태 및 수환경 변화를 반영할 수 있는 핵심 항목을 도출하고, 수심별 실시간 모니터링 기법 및 시스템을 개발하였다. 모니터링 항목은 수질, 유황 및 기상 항목을 포함하도록 구성하였다. 대하천의 수심을 고려하여 1.0 m 간격으로 모니터링이 가능한 시작품을 제작하고, 한강 수질의 실시간 수심별 변동특성을 파악하기 위하여 양화선착장을 test-bed 대상지로 선정하여 모니터링시스템을 구축 운영하였다. 춘계를 대상으로 상세분석을 실시한 결과, 수온, pH, 용존산소량(DO) 및 클로로필 a 등의 항목에서 뚜렷한 일주변화 및 수심별 변화가 관찰되어 수심별 실시간 모니터링이 하천 수환경의 적절한 관리를 위한 매우 유효한 수단인 것으로 나타났다.

• 한국해양학회지:바다
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• 제26권2호
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• pp.110-123
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• 2021

시화호 인근 연안 퇴적물에서 유기물 분해 특성, 퇴적물로부터의 영양염 용출 및 주요 조절요인을 파악하기 위해 공극수와 퇴적물 내 지화학 성분, 혐기성 유기물 분해율, 황산염 환원율 및 저층 영양염 용출률을 측정하였다. 연구정점은 소래포구 인근 정점(E0), 송도갯벌 정점(E1), 오이도 선착장 부근 정점(E3), 시화 조력발전소 수문 앞 정점(E5)으로 선정하였다. 유기탄소와 공극수 내 암모니아, 인산염 농도는 정점 E0에서 가장 높게 나타났으며, 외측 해역(정점 E1, E3, E5)으로 갈수록 점진적으로 감소하였다. 혐기성 유기물 분해율과 황산염 환원율은 정점 E0에서 각각 260.6 mmol C m^-2 d^-1와 91.4 mmol S m^-2 d^-1로 외측 정점들보다 각각 4-9배, 6-54배 높게 나타났다. 혐기성 유기물 분해에서 황산염 환원이 차지하는 비율은 정점 E3, E5에서 11-23%로 미미한 것으로 나타났으나, 정점 E0, E1에서는 47-70%로 황산염 환원에 의해 혐기성 유기물 분해가 주도되는 것으로 나타났다. 또한, 혐기성 유기물 분해율과 황산염 환원율은 용존 유기탄소와 상관성이 매우 높은 것으로 나타났다(r² = 0.795, 0.777). 한편, 정점 E0, E1, E3에서 퇴적물로부터 용출된 무기질소와 무기인은 각각 일차생산자가 요구하는 무기질소와 무기인의 120-510%와 26-178%를 공급하는 것으로 나타났다. 이상의 결과들은, 시화호 인근 연안 퇴적물 내 유기물 분해는 이용 가능한 용존 유기탄소의 공급에 의해 조절되고 있으며, 과도한 유기물 분해는 저층 영양염 용출을 촉진시켜 부영양화를 야기할 수 있음을 의미한다.

• Journal of Preventive Medicine and Public Health
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• 제24권2호
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• pp.195-210
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• 1991

Fatty liver is caused by derangement of fat metabolism and can be reversed by removal of contributing factors. The contributing factors of fatty liver is known to be overweight, chronic alcoholism, diabetes mellitus, malnutrition, and drug abuse such as tetracycline. This study was carried out on 1335 persons who visited 'Soon Chun Hyang Human Dock Center' from March to June 1990. In analysis of the data, prevalence of fatty liver diagnosed by ultrasonogram by age and sex, laboratory finding between fatty liver group and normal group, and odds ratio of known contributing factors, were compared. The results obtained are as following ; 1) The prevalence rate of fatty liver diagnosed by ultrasonogram is 29.6% in male and 11.5% in female. 2) Age groups with high prevalences are $40{\sim}50's$ in male (32.0%) and 50's in female (24.5%). 3) The fatty liver shows significant association with style (p<0.05), whereas not with hepatitis B-virus surface antigen (p>0.05). 4) All laboratory values except alkaline phosphatase and bilirubin are elevated significantly in accordance with the degree of fatty liver (p<0.01). 5) Fatty liver diagnosed by ultrasonogram showed so strong associations with body index, triglycerides and gamma-glutamyl transferase for males, and body index and fasting blood sugar for females that these factors may be used as supplementary data in establishing diagnosis of fatty liver. 6) Odds ratio of contributing factors are as follows ; If the odds ratio of below 29 year of age is 1.0 then that of $30{\sim}39$ is 1.74 (p=0.33), $40{\sim}49$ is 2.47 (p=0.10), $50{\sim}59$ is 2.86 (p=0.0570), over 60 is 1.81 (p=0.34). If the odds ratio of female is 1.0 then that of male is 5.67 (p<0.01). If the odds ratio of body index below zero is 1.0 then that of $0{\sim}9$ is 5.08 (p<0.01), $10{\sim}19$ is 12.37 (p<0.01), $20{\sim}29$ is 29.19 (p<0.01), 30 above is 154.02 (p<0.01). If the odds ratio of below 99 mg/dl FBS is 1.0 then that of $100{\sim}120$ is 106 (p=0.76), over 120 is 1.91 (p=0.02). If the odds ratio of below $29{\mu}/1{\gamma}-GT$ is 1.0 then that of $30{\sim}s59$ is 2.11 (p<0.01), $60{\sim}90$ is 1.87 (p<0.05), 90 above is 1.69 (p=0.15). If the odds ratio of below 149 mg/dl TG is 1.0 then $150{\sim}199$ is 1.49 (p=0.05), $200{\sim}250$ is 1.09 (P=0.77), 250 above is 2.53 (p<0.01). In summary, early diagnosis of fatty liver could be made by ultrasonogram supplemented with body index and nm triglyceride. The fatty liver could be preventive by avoiding contributing factors such as obesity, alcohol intake, high blood sugar appropriately.