摘要
背景:代谢紊乱包括一系列不同的紊乱,从流行性疾病如糖尿病到先天性代谢性孤儿疾病如苯丙酮尿症。尽管有大量证据表明计算方法在发现和开发新药物方面的重要性,但没有系统评价概述它们如何在代谢紊乱领域中使用。本综述旨在通过整合可用信息来解决开发基于网络的工具和数据库的必要性,以解决代谢紊乱网络药理学中的大数据问题。 方法:我们使用重点评论问题和纳入/排除标准,对同行评审的研究文献进行了书目数据库的结构化搜索。使用标准工具评估检索到的纸张的质量。 结果:代谢途径的改变引起各种心血管,血液,神经,胃肠,免疫疾病和癌症。在这方面,信息学,大数据和建模技术通过解决网络多药理学中的各种大数据问题(药物/药剂,蛋白质,基因,疾病,生物测定,ADMET和代谢途径),帮助设计新的代谢疾病治疗剂。 ),识别特权支架,开发新的诊断生物标志物,了解疾病的病理生理学和个性化医疗的进展。 结论:总结了近年来针对各种代谢紊乱开发药剂的研究进展,综述了其发病机制,作用机制,治疗和不良反应。我们已经强调了计算技术,药物再利用和基于网络的多药理学方法在鉴定新的/现有药物中的作用,这些药物具有改善的罕见代谢紊乱的药物样特性
关键词: 大数据和建模,药物再利用,信息学,代谢紊乱,网络多药理学,孤儿疾病
Current Medicinal Chemistry
Title:Recent Advances in the Development of Pharmaceutical Agents for Metabolic Disorders: A Computational Perspective
Volume: 25 Issue: 39
关键词: 大数据和建模,药物再利用,信息学,代谢紊乱,网络多药理学,孤儿疾病
摘要: Background: Metabolic disorders comprise a set of different disorders varying from epidemic diseases such as diabetes mellitus to inborn metabolic orphan diseases such as phenylketonuria. Despite considerable evidence showing the importance of the computational methods in discovery and development of new pharmaceuticals, there are no systematic reviews outlining how they are utilized in the field of metabolic disorders. This review aims to discuss the necessity of the development of web-based tools and databases by integration of available information for solving Big Data problems in network pharmacology of metabolic disorders.
Methods: We undertook a structured search of bibliographic databases for peer-reviewed research literature using a focused review question and inclusion/exclusion criteria. The quality of retrieved papers was appraised using standard tools.
Results: The alterations in metabolic pathways cause various cardiovascular, hematological, neurological, gastrointestinal, immune disorders and cancer. In this regard, informatics, Big Data and modeling techniques aid in the design of novel therapeutic agents for metabolic diseases by addressing various Big Data problems in the network polypharmacology (drugs/pharmaceutical agents, proteins, genes, diseases, bioassays, ADMET and metabolic pathways), identification of privileged scaffolds, developing new diagnostic biomarkers, understanding the pathophysiology of disease and progress in personalized medicine.
Conclusion: The recent advances of developing pharmaceutical agents for various metabolic disorders by considering their pathogenesis, mechanisms of action, therapeutic and adverse effects have been summarized. We have highlighted the role of computational techniques, drug repurposing, and network-based polypharmacological approaches in the identification of new/existing medicines with improved drug-likeness properties for the rare metabolic disorders.
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Recent Advances in the Development of Pharmaceutical Agents for Metabolic Disorders: A Computational Perspective, Current Medicinal Chemistry 2018; 25 (39) . https://dx.doi.org/10.2174/0929867324666171002120647
DOI https://dx.doi.org/10.2174/0929867324666171002120647 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
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