• 대한의용생체공학회:의공학회지
• /
• 제43권4호
• /
• pp.230-240
• /
• 2022

Drug regeneration technology is an efficient strategy than the existing new drug development process, which requires large costs and time by using drugs that have already been proven safe. In this study, we recognize the importance of the new drug regeneration aspect of new drug development and research in predicting functional similarities through the basic molecular structure that forms drugs. We test four string-based algorithms by using SMILES data and searching for their similarities. And by using the ATC codes, pair them with functional similarities, which we compare and validate to select the optimal model. We confirmed that the higher the molecular structure similarity, the higher the ATC code matching rate. We suggest the possibility of additional potency of random drugs, which can be predicted through data that give information on drugs with high molecular similarities. This model has the advantage of being a great combination with additional data, so we look forward to using this model in future research.

• 한국정보통신학회:학술대회논문집
• /
• 한국정보통신학회 2022년도 춘계학술대회
• /
• pp.276-278
• /
• 2022

모든 약물은 신체 내에서 특정한 작용을 하며, 많은 경우 합병증 또는 기존 약물치료 중 새롭게 발생하는 증상에 의해 약물이 혼용되는 경우가 발생한다. 이런 경우 신체 내에서 예상치 못한 상호작용이 발생할 수 있다. 따라서 약물 간 상호작용을 예측하는 것은 안전한 약물 사용을 위해 매우 중요한 과제이다. 본 연구에서는 다중 약물 사용 시 발생 가능한 약물 간 상호작용 예측을 위해 약물 정보 문서를 이용해 학습시키는 딥러닝 기반의 예측 모델을 제안한다. 약물 정보 문서는 DrugBank 데이터를 이용해 약물의 작용 기전, 독성, 표적 등 여러 속성을 결합해 생성되었으며, 두 약물 문서가 한 쌍으로 묶여 딥러닝 기반 예측 모델에 입력으로 사용되고 해당 모델은 두 약물 간 상호작용을 출력한다. 해당 연구는 임베딩 방법이나 데이터 전처리 방법 등 다양한 조건의 변화에 따른 실험 결과의 차이를 분석하여 차후 새로운 약물쌍 간 상호작용을 예측하는 데에 활용이 가능하다.

• 통합자연과학논문집
• /
• 제5권4호
• /
• pp.229-232
• /
• 2012

The pharmaceutical industry has an ongoing need for new, safe medicines with genuine biomedical effects. Most of the candidate molecules are far from becomes a drug, because of their pharmacokinetic and pharmacodynamic properties. The introduction of bioisostere to improve properties of molecules and to obtain new class of compound is currently increased. Silicon substitution of carbon of existing drugs is an attractive strategy to search a new candidate with improved biological and physicochemical properties. The fundamental differences between carbon and silicon can lead to improved profile of the silicon containing candidate, and could be exploited to get further benefit in drug design process.

• Nuclear Medicine and Molecular Imaging
• /
• 제41권6호
• /
• pp.525-529
• /
• 2007

Regulation for the radiopharmaceuticals should be reasonably different from that of other drugs. Radiopharmaceuticals are always used by compounding based on the doctor's order, have short half life and very low administration dose. Its pharmacological effect is not from its chemical effect but from radiation. The background for exploratory IND (Investigational New Drug) explained by the FDA was to reduce the time and resources expended on candidate products that are unlikely to suceed, new tools are needed to distinguish earlier in the process those candidates that hold promise from those that do not. In this review, basic concept for exploratory IND and RDRC guideline is summarized and various suggestions for improving and expediting procedure for new radiopharmaceutical development would be described.

• Clinical and Experimental Pediatrics
• /
• 제52권5호
• /
• pp.529-537
• /
• 2009

Drug-resistant tuberculosis in children has important implications for both the patients and tuberculosis control programs. In Korea, among all new patients, the isoniazid resistance rate was 9.9% and multidrug-resistant tuberculosis rate was 2.7% in 2004 (in patients aged 10-19 yr, the multidrug-resistant tuberculosis rate reached 2.1%). Tuberculosis in pediatric patients is difficult to diagnose because many children have nonspecific clinical signs and the detection rates of acid-fast bacilli smears and cultures are low. Therefore, every effort should be made to identify adult sources and obtain information on drug susceptibility because symptomatic adult patients have a higher chance of culture positivity and drug-susceptibility patterns are the same in most adult-child pair patients. Korean children are at significant risk of drug-resistant tuberculosis. As the isoniazid resistance rate is greater than 4% among the new cases in Korea, a four-drug regimen should be considered for initial treatment of children with active tuberculosis, unless drug-susceptibility test results are available. Treatment of drug-resistant tuberculosis in children is challenging and there are only few available data. Tuberculosis control programs should be continuous with specific focus on pediatric populations because they can serve as reservoirs for future active cases. Further studies are needed regarding treatment of drug-resistant tuberculosis in children.

• Genomics & Informatics
• /
• 제16권3호
• /
• pp.52-58
• /
• 2018

In this report, we present a case study of how pharmacogenomics and pharmacometabolomics can be useful to characterize safety and pharmacokinetic profiles in early phase new drug development clinical trials. During conducting a first-in-human trial for a new molecular entity, we were able to determine the mechanism of dichotomized variability in plasma drug concentrations, which appeared closely related to adverse drug reactions (ADRs) through integrated omics analysis. The pharmacogenomics screening was performed from whole blood samples using the Affymetrix DMET (Drug-Metabolizing Enzymes and Transporters) Plus microarray, and confirmation of genetic variants was performed using real-time polymerase chain reaction. Metabolomics profiling was performed from plasma samples using liquid chromatography coupled with quadrupole time-of-flight mass spectrometry. A GSTM1 null polymorphism was identified in pharmacogenomics test and the drug concentrations was higher in GSTM1 null subjects than GSTM1 functional subjects. The apparent drug clearance was 13-fold lower in GSTM1 null subjects than GSTM1 functional subjects (p < 0.001). By metabolomics analysis, we identified that the study drug was metabolized by cysteinylglycine conjugation in GSTM functional subjects but those not in GSTM1 null subjects. The incidence rate and the severity of ADRs were higher in the GSTM1 null subjects than the GSTM1 functional subjects. Through the integrated omics analysis, we could understand the mechanism of inter-individual variability in drug exposure and in adverse response. In conclusion, integrated multi-omics analysis can be useful for elucidating the various characteristics of new drug candidates in early phase clinical trials.

• 방사선산업학회지
• /
• 제7권1호
• /
• pp.69-74
• /
• 2013

This study examined radiation detection characteristics of spices (cumin, caper and turmeric), other small fruits (hut-gae berry and boxthorn), and pollen extract product. Each samples were irradiated at dose of 1, 5, and 10 kGy and analyzed by the thermoluminescence (TL) and electron spin resonance (ESR) methods. To compare between non-irradiated and irradiated food, all samples were irradiated with $^{60}Co$ gamma-ray source. In TL analysis, most of samples could be applied to detect irradiated foods because of showing TL ratio above 0.1. The glow curves examined by TL method were estimated in the range of $150{\sim}250^{\circ}C$ in irradiated samples. In ESR measurements, the intensity of ESR signal (single-line) increased as the increase of irradiation dose. In particular, the specific ESR signals of irradiation-induced radical were detected in hut-gae berry and pollen extract product. As a results, it is considered that TL and ESR methods can be used to detect both hut-gae berry and pollen extract product. But cumin, caper, turmeric and boxthorn irradiated with gamma ray could be detected only by TL method. It is concluded that TL and ESR methods are suitable for detection of irradiated samples and a combined method is recommendable for enhancing the reliability of detection results.

• Parasites, Hosts and Diseases
• /
• 제58권3호
• /
• pp.249-255
• /
• 2020

Toxoplasma gondii, a ubiquitous, intracellular parasite of the phylum Apicomplexa, infects an estimated one-third of the human population as well as a broad range of warm-blooded animals. We have observed that some tyrosine kinase inhibitors suppressed the growth of T. gondii within host ARPE-10 cells. Among them, afatinib, human epithermal growth factor receptor 2 and 4 (HER2/4) inhibitor, may be used as a therapeutic agent for inhibiting parasite growth with minimal adverse effects on host. In this report, we conducted a proteomic analysis to observe changes in host proteins that were altered via infection with T. gondii and the treatment of HER2/4 inhibitors. Secreting proteins were subjected to a procedure of micor basic reverse phase liquid chromatography, nano-liquid chromatography-mass spectrometry, and ingenuity pathway analysis serially. As a result, the expression level of heterogeneous nuclear ribonucleoprotein K, semaphorin 7A, a GPI membrane anchor, serine/threonine-protein phosphatase 2A, and calpain small subunit 1 proteins were significantly changed, and which were confirmed further by western blot analysis. Changes in various proteins, including these 4 proteins, can be used as a basis for explaining the effects of T. gondii infections and HER2/4 inhibitors.

• 한국식품위생안전성학회지
• /
• 제32권1호
• /
• pp.57-63
• /
• 2017

식품 중 이물은 크기, 형태 및 종류가 다양하기 때문에 정확한 동정이나 감별이 어려운 경우가 있다. 이러한 이물의 종류 및 혼입경로를 파악하기 위해서는 형태학적 분석, 화학적 분석, 생물학적 분석 등의 다양한 분석법을 이용할 수 있다. 특히 동물 털(머리카락 포함) 이물은 그 형상이 유사하고 구분이 쉽지 않아 감별에 있어서 어려움이 있어 신속, 정확한 검사를 수행할 수 있는 시험법을 마련해야 할 필요가 있다. 동물 털은 보온, 보호 등 상징적 기능뿐만 아니라 특이적인 모양에 따른 방수, 방열 등 형태학적 구조와 상관적인 역할이 병행된다. 털은 유전적이거나 환경적 변이에 따른 모낭이 다양한 유형의 모발로서 발전시키기도 하고 퇴화시키기도 함으로써 신체 부위에 따라 길이나 굵기를 달리한다. 또한 동물 털의 구조는 중심부에 모수질, 그 외측에 모피질과 모표피 등으로 구성되어 형태학적 특징에 따라 분별되므로 본 연구에서는 식품에 혼입된 이물로 혼입된 사례가 있거나 혼입될 가능성이 있는 동물 털을 형태학적 관찰과 기기분석에 따른 비교를 살펴보고자 하였다. 형태학적 특성을 관찰하기 위해 실체현미경, 광학현미경, 주사현미경 및 SUMP법을 이용하여 측정한 결과, 털의 모표피, 모수질의 형태로 종류를 판별할 수 있었다. 무기성분의 조성을 분석하기 위해 X선 형광분석기로 측정한 결과, 모든 털의 주원소는 황(S)이었다. 유기성분의 구조적 특성을 분석하기 위해 적외선 분광광도계로 측정한 결과, 털은 모두 유사한 스펙트럼 패턴을 나타내었다. 이러한 결과를 볼 때 이물의 동물 털 여부는 X선 형광분석기와 적외선 분광광도계로 확인이 가능하고, 자세한 종류를 판별하기 위해서는 형태학적 분석이 필요한 것을 알 수 있었다. 각 검체들을 시료화 해놓는다면 식품에서 동물 털이 발견되었을 때 신속하게 종의 판별이 가능할 것으로 사료된다.

• Osong Public Health and Research Perspectives
• /
• 제8권6호
• /
• pp.389-396
• /
• 2017

Objectives: To circumvent the limitations of the current golden standard method, colony-forming unit (CFU) assay, for viability of Bacille Calmette-$Gu{\acute{e}}rin$ (BCG) vaccines, we developed a new method to rapidly and accurately determine the potency of BCG vaccines. Methods: Based on flow cytometry (FACS) and fluorescein diacetate (FDA) as the most appropriate fluorescent staining reagent, 17 lots of BCG vaccines for percutaneous administration and 5 lots of BCG vaccines for intradermal administration were analyzed in this study. The percentage of viable cells measured by flow cytometry along with the total number of organisms in BCG vaccines, as determined on a cell counter, was used to quantify the number of viable cells. Results: Pearson correlation coefficients of FACS and CFU assays for percutaneous and intradermal BCG vaccines were 0.6962 and 0.7428, respectively, indicating a high correlation. The coefficient of variation value of the FACS assay was less than 7%, which was 11 times lower than that of the CFU assay. Conclusion: This study contributes to the evaluation of new potency test method for FACS-based determination of viable cells in BCG vaccines. Accordingly, quality control of BCG vaccines can be significantly improved.