• Title/Summary/Keyword: 항당뇨 예측

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A machine learning model for the derivation of major molecular descriptor using candidate drug information of diabetes treatment (당뇨병 치료제 후보약물 정보를 이용한 기계 학습 모델과 주요 분자표현자 도출)

  • Namgoong, Youn;Kim, Chang Ouk;Lee, Chang Joon
    • Journal of the Korea Convergence Society
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    • v.10 no.3
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    • pp.23-30
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    • 2019
  • The purpose of this study is to find out the structure of the substance that affects antidiabetic using the candidate drug information for diabetes treatment. A quantitative structure activity relationship model based on machine learning method was constructed and major molecular descriptors were determined for each experimental data variables from coefficient values using a partial least squares algorithm. The results of the analysis of the molecular access system fingerprint data reflecting the candidate drug structure information were higher than those of the in vitro data analysis in terms of goodness-of-fit, and the major molecular expression factors affecting the antidiabetic effect were also variously derived. If the proposed method is applied to the new drug development environment, it is possible to reduce the cost for conducting candidate screening experiment and to shorten the search time for new drug development.

Analysis of Chemical Constituents of Agastachis Herba and in silico Investigation on Antidiabetic Target Proteins of its Major Compounds (곽향의 성분 분석 및 주요 성분들의 in silico 항당뇨 타겟 단백질 탐색)

  • Choi, Jongkeun
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.22 no.4
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    • pp.483-492
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    • 2021
  • Agastachis Herba (AH) to treat anorexia and nausea and its antidiabetic efficacy was recently reported. This study examined the antioxidant activities and chemical constituents of AH and predicted the target proteins of each compound using in silico approaches. The results showed that EC50 values of AH methanol extract for DPPH and ABTS radical scavenging were 78.6 ㎍/mL and 31.0 ㎍/mL, respectively. Compared to the EC50 values of ascorbic acid (9.9 ㎍/mL, 5.2 ㎍/mL), the AH methanol extract possessed excellent antioxidant activities. Rosmarinic acid, tilianin, agastachoside, and acetin were confirmed as the major compounds of extracts by qualitative analysis performed with HPLC-PDA-MS/MS. The antidiabetic target proteins of these compounds were predicted by applying a structural similarity and inverse docking methodology using a DIA-DB server. The resulting target proteins were PPAR-γ, DPP IV, glucokinase, α-glucosidase, SGLT2, aldose reductase, and corticosteroid 11-beta-dehydrogenase, some of which have already been proven experimentally as target proteins. Therefore, the in silico methods can be considered valid. Finally, AH were extracted with various solvents to determine the optimal conditions for the extraction of active components. Methanol among organic solvents and 80% ethanol in ethanol-water mixtures were identified as the most effective solvent for the extraction.

Nomogram comparison conducted by logistic regression and naïve Bayesian classifier using type 2 diabetes mellitus (T2D) (제 2형 당뇨병을 이용한 로지스틱과 베이지안 노모그램 구축 및 비교)

  • Park, Jae-Cheol;Kim, Min-Ho;Lee, Jea-Young
    • The Korean Journal of Applied Statistics
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    • v.31 no.5
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    • pp.573-585
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    • 2018
  • In this study, we fit the logistic regression model and naïve Bayesian classifier model using 11 risk factors to predict the incidence rate probability for type 2 diabetes mellitus. We then introduce how to construct a nomogram that can help people visually understand it. We use data from the 2013-2015 Korean National Health and Nutrition Examination Survey (KNHANES). We take 3 interactions in the logistic regression model to improve the quality of the analysis and facilitate the application of the left-aligned method to the Bayesian nomogram. Finally, we compare the two nomograms and examine their utility. Then we verify the nomogram using the ROC curve.

Effect of Probiotics on Risk Factors for Human Disease: A Review (인간 질병의 위험 요인에 대한 Probiotics의 효과: 총설)

  • Chon, Jung-Whan;Kim, Dong-Hyeon;Kim, Hyun-Sook;Kim, Hong-Seok;Hwang, Dae-Geun;Song, Kwang-Young;Yim, Jin-Hyuk;Choi, Dasom;Lim, Jong-Soo;Seo, Kun-Ho
    • Journal of Dairy Science and Biotechnology
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    • v.32 no.1
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    • pp.17-29
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    • 2014
  • GRAS probiotics can be used to modulate intestinal microbiota and to alleviate various gastrointestinal disorders. In several recent studies, researchers have explored the potential expansion and usability of probiotics to reduce the risk factors associated with diseases, including obesity, hypercholesterolemia, arterial hypertension, hyperhomocysteinemia, and oxidative stress. In this review, our aim was to clarify the mechanism underlying interactions between hosts (animal or human) and probiotics and the beneficial effects of probiotics on human health.

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Evaluation of the Clinical Usefulness of the Xeniss Rapid TB kit for the Diagnosis of Tuberculosis (결핵진단에서 Xeniss Rapid TB kit의 임상적 유용성)

  • Park, Seung-Kyu;Lee, Woo-Chul;Hwang, Soo-Hee;Kwon, Eun-Si;Lee, Hung-Soon;Lee, Duk-Hyoung
    • Tuberculosis and Respiratory Diseases
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    • v.53 no.4
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    • pp.389-400
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    • 2002
  • Background : The rapid diagnostic tests for tuberculosis are needed to facilitate early treatment of tuberculosis and prevention of Mycobacterium tuberculosis transmission. The Xeniss Rapid TB kit is a rapid, card-based immunochromatographic test for the detection of antibodies directed against M. tuberculosis antigens including antigen 5(38-kDa antigen). The objective of this study was to evaluate the performance of the Xeniss Rapid TB kit for the diagnosis of active tuberculosis with serums from patients, asymptomatic healthy and close contact controls. Methods : 188 patients with active tuberculosis were tested; 177 with pulmonary tuberculosis(18 with combined pleurisy), and 11 with extrapulmonary tuberculosis. The control groups were composed of 82 close contacts and 57 healthy adults. Study subject were drawn from one national tuberculosis hospital for patients and close contacts, and another private hospital for healthy adults in Masan city, Korea. The Xeniss Rapid TB kit(Xeniss Life Science Co., Ltd., Seoul, Korea) was evaluated by using serum samples according to the instructions of the manufacturer by an investigator masked to the clinical and microbiological status of the study subjects. Results : The diagnostic sensitivity of the Xeniss Rapid TB kit was 73.9% in patients and specificities were 73.2% and 93.0% in close contact and healthy adults respectively. The positive predictive value in patients was 84.2% and the negative predictive value in controls was 85.8%. Conclusion : This study shows that the Xeniss Rapid TB test is a simple and fast method to diagnose active TB. The results of the sensitivity and specificites suggest that serodiagnosis using this point of care testing(POCT) device would be valuable and advantageous for screening tuberculosis in the clinical field.