• Biomolecules & Therapeutics
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• 제22권4호
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• pp.267-274
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• 2014

Drug development and preclinical trials are challenging processes and more than 80% to 90% of drug candidates fail to gain approval from the United States Food and Drug Administration. Predictive and efficient tools are required to discover high quality targets and increase the probability of success in the process of new drug development. One such solution to the challenges faced in the development of new drugs and combination therapies is the use of low-cost and experimentally manageable in vivo animal models. Since the 1980's, scientists have been able to genetically modify the mouse genome by removing or replacing a specific gene, which has improved the identification and validation of target genes of interest. Now genetically engineered mouse models (GEMMs) are widely used and have proved to be a powerful tool in drug discovery processes. This review particularly covers recent fascinating technologies for drug discovery and preclinical trials, targeted transgenesis and RNAi mouse, including application and combination of inducible system. Improvements in technologies and the development of new GEMMs are expected to guide future applications of these models to drug discovery and preclinical trials.

• 한국정보통신학회논문지
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• 제25권12호
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• pp.1797-1808
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• 2021

4차 산업혁명을 주도하는 기술 중 가장 핵심적인 기술로 꼽히고 있는 인공지능은 다양한 분야에 접목되면서 우리 사회 전반에 걸쳐 패러다임의 전환을 가져오고 있다. 바이오 분야 역시 예외는 아니어서 컴퓨터, 전기·전자, 기계 등 타 학문과 융합되면서 방대한 데이터 기반의 AI 기술을 도입하고 있다. 신약개발에서 AI 기술 도입은 신약개발의 효율성을 개선하고 효능 및 품질 향상을 가져올 수 있다. 신약개발은 다학제 분야가 접목된 융합 분야이고 개발 과정 단계별로 결과의 불확실성이 존재하고 있어 실용적 수준의 신약 개발을 위해서는 화학, 생물학, 독성학, 약동학 등 전문지식의 융합을 기반으로 하는 AI 기술 개발이 필요하다. 신약개발은 크게 주어진 질병에 대한 타겟 물질 발굴 및 검증, 히트 및 선도물질 발굴, 도출된 화합물에 대한 합성 가능성 및 효능 등에 대한 평가(Scoring)를 거쳐 최적의 신약 후보 물질을 발굴하고 마지막으로 전임상과 임상 과정의 단계를 거친다. 이때 AI 기술은 모든 단계에서 적용될 수 있고 단계마다 특화되어 적용될 수 있다. 본 논문에서는 신약개발을 위해 적용되고 있는 AI 기술 현황과 현재 기술의 한계를 살펴보고 향후 신약개발에서 AI 기술의 발전 방향을 고찰해 보고자 한다.

• 생약학회지
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• 제45권4호
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• pp.354-358
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• 2014

Aldose reductase (AR) has been demonstrated to play important role in the development of the diabetic complications such as diabetic retinopathy, diabetic neuropathy and diabetic nephropathy. To discover novel treatments for diabetic complications from natural sources, 69 Korean herbal medicines have been investigated for inhibitory activities on AR. Among them, 7 herbal medicines, Eleutherococcus sessiliflorus (stems), Artemisia japonica (whole plants), Wisteria floribunda (leaves), Eurya japonica (stems, twigs and leaves, leaves), Ampelopsis brevipedunculata (stems) exhibited a significant inhibitory activity compared with 3,3-tetramethyleneglutaric acid as positive control.

• 통합자연과학논문집
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• 제16권4호
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• pp.123-131
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• 2023

Breast cancer continues to pose a substantial worldwide health challenge, thereby requiring the development of innovative strategies to discover new therapeutic interventions. Signal Transducer and Activator of Transcription 3 (STAT-3) has been identified as a significant factor in the development of several types of cancer, including breast cancer. This is primarily attributed to its diverse functions in promoting tumour formation and conferring resistance to therapeutic interventions. This study presents an in silico drug repositioning approach that focuses on identifying specific inhibitors of STAT-3 for the purpose of treating breast cancer. We initially examined the structural and functional attributes of STAT-3, thereby elucidating its crucial involvement in cellular signalling cascades. A comprehensive virtual screening was performed on a diverse collection of drugs that have been approved by the FDA from zinc15 database. Various computational techniques, including molecular docking, cross docking, and cDFT analysis, were utilised in order to prioritise potential candidates. This prioritisation was based on their predicted binding energies and outer molecular orbital reactivity. The findings of our study have unveiled a Dihydroergotamine and Paritaprevir that have been approved by the FDA and exhibit considerable promise as selective inhibitors of STAT-3. In conclusion, the utilisation of our in silico drug repositioning approach presents a prompt and economically efficient method for the identification of potential compounds that warrant subsequent experimental validation as selective STAT-3 inhibitors in the context of breast cancer. The present study highlights the considerable potential of employing computational strategies to expedite the drug discovery process. Moreover, it provides valuable insights into novel avenues for targeted therapeutic interventions in the context of breast cancer treatment.

• 생약학회지
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• 제44권2호
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• pp.161-167
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• 2013

Aldose reductase (AR) has been shown to play an important role in the development of the diabetic complications. To discover novel treatments for diabetic complications from natural sources, 59 Chinese herbal medicines have been investigated for inhibitory activities on AR. Among them, 10 herbal medicines, Catalpa fargesii (stem and leaf), Saussurea Laniceps(whole plant), Alnus nepalensis(stem and leaf), Swertia macrosperma (whole plant), Woodfordia fruticosa (stem and leaf), Elsholtzia bodinieri (whole plant), Elsholtzia fruticosa (whole plant), Rosa multiflora (fruit), Nardostachys chinensis (whole plant), Eurya groffii (stem and leaf) exhibited a significant inhibitory activity compared with 3,3-tetramethyleneglutaric acid (TMG) as positive control. Particularly, 4 herbal medicines, C. fargesii (stem and leaf), S. Laniceps (whole plant), A. nepalensis (stem and leaf), S. macrosperma (whole plant) showed two times more potent inhibitory activity than TMG ($5.37{\mu}g/ml$).

• 경영정보학연구
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• 제24권1호
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• pp.21-37
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• 2022

신약을 개발하는 한 가지 방법의 하나인 신약 재창출(Drug Repositioning)은 이미 사람들에게 사용할 수 있도록 승인된 약물들이 다른 용도로 사용되도록 하여 새로운 적응증을 발견하는 유용한 방법이다. 최근에는 머신러닝 기술의 발달로 방대한 생물학적 정보를 분석하여 신약 개발에 활용하는 경우가 증가하고 있다. 신약 재창출에 머신러닝 기술을 활용하면 효과적인 치료법을 신속하게 찾아내는 데 도움을 줄 것이다. 현재 심각한 급성 호흡기 증후군인 코로나바이러스(COVID-19)에 의한 신종 질병으로 전 세계가 힘든 시간을 보내고 있다. 이미 임상적으로 승인된 약물의 용도를 변경하는 신약 재창출은 COVID-19 환자를 치료하기 위한 치료제의 대안이 될 수 있다. 본 연구는 머신러닝 기법을 활용하여 신약 재창출 분야에 대한 연구 동향을 살펴보고자 한다. Pub Med에서 웹 스크래핑 기법을 사용하여 'Drug Repositioning'이라는 키워드로 총 4,821건의 논문을 수집하였다. 데이터 전처리 후, 4,419건의 논문을 대상으로 빈도분석, LDA 기반 토픽모델링, Random Forest 분류 분석 및 예측 성능평가를 수행하였다. Word2vec 모델을 기반으로 연관어를 분석하였고, PCA 차원 축소 후 K-Means 군집화하여 레이블을 생성한 후, t-SNE 알고리즘을 이용하여 논문이 형성하고 있는 그룹을 시각화하고, LDA 결과에 계층적 군집화를 적용하여 히트맵으로 시각화하였다. 본 연구는 신약 재창출과 관련된 연구 주제가 무엇인지를 파악하고, 머신러닝 알고리즘을 사용하여 대량의 문헌에서 의미 있는 주제를 도출하고 시각화하는 방법을 제시하였다. 향후 신약 재창출 분야의 연구나 개발 전략을 수립하기 위한 기초자료로 활용되는 데 도움을 줄 것이라고 기대한다.

• Biomolecules & Therapeutics
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• 제26권5호
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• pp.458-463
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• 2018

The phosphorylation of JNK is known to induce insulin resistance in insulin target tissues. The inhibition of JNK-JIP1 interaction, which interferes JNK phosphorylation, becomes a potential target for drug development of type 2 diabetes. To discover the inhibitors of JNK-JIP1 interaction, we screened out 30 candidates from 4320 compound library with In Cell Interaction Trap method. The candidates were further confirmed and narrowed down to five compounds using the FRET method in a model cell. Among those five compounds, Acebutolol showed notable inhibition of JNK phosphorylation and elevation of glucose uptake in diabetic models of adipocyte and liver cell. Structural computation showed that the binding affinity of Acebutolol on the JNK-JIP1 interaction site was comparable to the known inhibitor, BI-78D3. Our results suggest that Acebutolol, an FDA-approved beta blocker for hypertension therapy, could have a new repurposed effect on type 2 diabetes elevating glucose uptake process by inhibiting JNK-JIP1 interaction.

• Journal of Information Processing Systems
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• 제15권6호
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• pp.1326-1334
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• 2019

Knowledge base means a library stored in computer system providing useful information or appropriate solutions to specific area. Knowledge base associated with autism is the complex multidimensional information set related to the disease autism for its pathogenic factor and therapy. This paper focuses on the knowledge of biological molecular information extracted from massive biomedical texts with the aid of widespread used machine learning methods. Six classes of biological molecular information (such as protein, DNA, RNA, cell line, cell component, and cell type) are concerned and the probability statistics method, conditional random fields (CRFs), is utilized to discover these knowledges in this work. The knowledge base can help biologists to etiological analysis and pharmacists to drug development, which can at least answer four questions in question-answering (QA) system, i.e., which proteins are most related to the disease autism, which DNAs play important role to the development of autism, which cell types have the correlation to autism and which cell components participate the process to autism. The work can be visited by the address http://134.175.110.97/bioinfo/index.jsp.

• 한국식생활문화학회지
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• 제30권5호
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• pp.562-575
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• 2015

This study intends to discover stories and sensibilities connected with characteristics and symbols of the history and culture of Sangju to develop contents about the native foods of Sangju. 'General Jeong's Table', which supplied the energy and nutrition necessary for soldiers during war, is set with Jobap, Patipguk, Euneogui, Baechumoojeon, Kongnamulheojib, Patipnamul, and Munamulsileagideanjangmuchim. 'Sangjuseong retaking wartime food', as a kind of ready-to-eat meal, which stresses convenience above everything else, is composed of Konggarujumeokbap, Bbongipjuk, Gamjangajji, and Odigojgammodeumbagitteok for table setting. 'General Jeong's liquor table', which allowed the general to regain his energy or was set to entertain generals of allied forces in the Myeong Dynasty, is formed by Baeksuk, Gojgamssam, Kongjukjijim and Sangsurisul. Efficacies of food materials were analyzed in the Part of Drug Formula of the best-known medical book in Asia. Foods on 'General Jeong's Table' has health efficacies that protect the five viscera and maintain the spleen and stomach.

• 식품과학과 산업
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• 제54권2호
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• pp.62-72
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• 2021

HACCP 인증업체의 자율관리 능력을 제고하고 관리가 미흡한 업체 등에 대한 집중관리 등 선택과 집중을 통한 관리가 필요하다. 더불어 스마트 HACCP의 확대, 보급을 통해 HACCP 운영의 효율성과 편의성을 향상 시켜야 한다. 이처럼 HACCP 제도의 내실화와 스마트화 뿐만 아니라 동시에 적용분야를 지속적으로 발굴, 확대하는 것이 우리나라 HACCP이 나아가야할 방향이다.