• Title/Summary/Keyword: new drug

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A Study on the Prediction of Drug Efficacy by Using Molecular Structure (분자구조 유사도를 활용한 약물 효능 예측 알고리즘 연구)

  • Jeong, Hwayoung;Song, Changhyeon;Cho, Hyeyoun;Key, Jaehong
    • Journal of Biomedical Engineering Research
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    • v.43 no.4
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    • pp.230-240
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    • 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.

Prediction of Drug-Drug Interaction Based on Deep Learning Using Drug Information Document Embedding (약물 정보 문서 임베딩을 이용한 딥러닝 기반 약물 간 상호작용 예측)

  • Jung, Sun-woo;Yoo, Sun-yong
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2022.05a
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    • pp.276-278
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    • 2022
  • All drugs have a specific action in the body, and in many cases, drugs are combinated due to complications or new symptoms during existing drug treatment. In this case, unexpected interactions may occur within the body. Therefore, predicting drug-drug interactions is a very important task for safe drug use. In this study, we propose a deep learning-based predictive model that learns using drug information documents to predict drug interactions that may occur when using multiple drugs. The drug information document was created by combining several properties such as the drug's mechanism of action, toxicity, and target using DrugBank data. And drug information document is pair with another drug documents and used as an input to a deep learning-based predictive model, and the model outputs the interaction between the two drugs. This study can be used to predict future interactions between new drug pairs by analyzing the differences in experimental results according to changes in various conditions.

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Importance of Silicon Atom in the Drug Design Process

  • Gadhe, Changdev G.;Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.5 no.4
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    • pp.229-232
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    • 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.

Suggestions for Radiopharmaceutical Drug Development in Korea Focusing on FDA Exploratory IND Guideline (FDA exploratory IND의 기준을 중심으로 본 국내 방사성 의약품 기술개발을 위한 제언)

  • Ryu, Young-Hoon;Choi, Tae-Hyun
    • Nuclear Medicine and Molecular Imaging
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    • v.41 no.6
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    • pp.525-529
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    • 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.

Pediatric tuberculosis and drug resistance (소아 결핵과 약제 내성)

  • Kim, Yae-Jean
    • Clinical and Experimental Pediatrics
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    • v.52 no.5
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    • pp.529-537
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    • 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.

Utility of Integrated Analysis of Pharmacogenomics and Pharmacometabolomics in Early Phase Clinical Trial: A Case Study of a New Molecular Entity

  • Oh, Jaeseong;Yi, Sojeong;Gu, Namyi;Shin, Dongseong;Yu, Kyung-Sang;Yoon, Seo Hyun;Cho, Joo-Youn;Jang, In-Jin
    • Genomics & Informatics
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    • v.16 no.3
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    • pp.52-58
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    • 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.

Studies on the Applications of TL and ESR Methods for the Detection of Spices, Berry Fruits and Pollen Extract Product (TL과 ESR 분석을 통한 일부 향신료, 장과류 및 화분가공추출물 검지 특성 연구)

  • Kim, Kyu-Heon;Son, Jin-Hyok;Kang, Yoon-Jung;Park, Hye-Young;Kwak, Ji-Young;Lee, Jae-Hwang;Park, Yong-Chjun;Jo, Tae-Yong;Lee, Hwa-Jung;Lee, Sang-Jae;Han, Sang-Bae
    • Journal of Radiation Industry
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    • v.7 no.1
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    • pp.69-74
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    • 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.

Secretome Analysis of Host Cells Infected with Toxoplasma gondii after Treatment of Human Epidermal Growth Factor Receptor 2/4 Inhibitors

  • Kim, Hye-Jung;Ahn, Hye-Jin;Kang, Hyeweon;Park, Jaehui;Oh, Seul gi;Choi, Saehae;Lee, Won-Kyu;Nam, Ho-Woo
    • Parasites, Hosts and Diseases
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    • v.58 no.3
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    • pp.249-255
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    • 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.

A Study on the Identification of Animal Hair in Food (식품 중 동물 털 이물의 판별법 연구)

  • Lee, Jae-Hwang;Park, Young-Eun;Lim, Byung-Chul;Kim, Ju-Shin;Choi, Jong-Hyun;Kang, Tae Sun;Lee, Jin-Ha;Kwon, Kisung
    • Journal of Food Hygiene and Safety
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    • v.32 no.1
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    • pp.57-63
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    • 2017
  • Foreign materials with a variety of types and sizes are found in food; thus, extraordinary efforts and various analytical methods are required to identify the types of foreign materials and to find out accurate causes of how they unintentionally enter food. In this study, human, cow, pig, mouse, duck, goose, dog, and cat were chosen as various types of animal hairs because they can be frequently incorporated into food during its production or consumption step. We morphologically analyzed them using stereoscopic, optical, SUMP method, and scanning electron microscopes, showing differences in each type. In addition, X-ray fluorescence spectrometer (XRF) was used to analysis chemical compositions ($^{11}Na{\sim}^{92}U$, Mass%) of samples. As a result, we observed that mammalian hairs were mainly composed of sulfur. Organic compounds of samples were further analyzed by fourier transform infrared spectroscopy (FT-IR) that can compare spectra of given materials; however, this method did not show significant differences in each sample. In this study, we suggest a rapid method for the identification of the causes and types of foreign materials in food.

Development of a New Approach to Determine the Potency of Bacille Calmette-Guérin Vaccines Using Flow Cytometry

  • Gweon, Eunjeong;Choi, Chanwoong;Kim, Jaeok;Kim, Byungkuk;Kang, Hyunkyung;Park, Taejun;Ban, Sangja;Bae, Minseok;Park, Sangjin;Jeong, Jayoung
    • Osong Public Health and Research Perspectives
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    • v.8 no.6
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    • pp.389-396
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    • 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.