DrugRepoBank:加速药物重新定位的综合数据库和发现平台。

IF 4.3 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC
Yixian Huang, Danhong Dong, Wenyang Zhang, Ruiting Wang, Yang-Chi-Dung Lin, Huali Zuo, Hsi-Yuan Huang, Hsien-Da Huang
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引用次数: 0

摘要

近年来,药物重新定位已成为一种很有前景的替代方法,可替代耗时、昂贵和高风险的疾病新药研发过程。然而,目前的药物再定位数据库面临着一些问题,包括数据量不足、数据类型受限、忽视多维或异构数据导致算法不准确、缺乏对药物再定位相关文献数据的系统整理、分析能力有限以及网页界面对用户不友好等。因此,我们建立了第一个名为 DrugRepoBank 的全方位数据库,由两个主要模块组成:"文献 "模块和 "预测 "模块。文献 "模块是最大的有实验证据的药物重新定位文献数据库,收录了 2000 年 1 月 1 日至 2023 年 7 月 1 日期间 134 篇文章中的 169 种重新定位药物。预测 "模块采用了 18 种高效算法,包括基于相似性、基于人工智能、基于特征和基于网络的方法,来预测重新定位的候选药物。DrugRepoBank 具有交互式和用户友好的网络界面,并提供疾病特征生物信息学分析等综合功能。当用户提供有关药物、靶点或感兴趣的疾病的信息时,DrugRepoBank 会提供该药物的新适应症和靶点,推荐与靶点结合的新药,或推荐治疗所查询疾病的潜在药物。此外,它还提供有关药物、靶点或疾病的基本信息以及辅助文献。我们利用三个案例研究来证明在 DrugRepoBank 中对药物进行预测性重新定位的可行性和有效性。DrugRepoBank 数据库的建立将大大加快药物重新定位的步伐。数据库网址:https://awi.cuhk.edu.cn/DrugRepoBank。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
DrugRepoBank: a comprehensive database and discovery platform for accelerating drug repositioning.

In recent years, drug repositioning has emerged as a promising alternative to the time-consuming, expensive and risky process of developing new drugs for diseases. However, the current database for drug repositioning faces several issues, including insufficient data volume, restricted data types, algorithm inaccuracies resulting from the neglect of multidimensional or heterogeneous data, a lack of systematic organization of literature data associated with drug repositioning, limited analytical capabilities and user-unfriendly webpage interfaces. Hence, we have established the first all-encompassing database called DrugRepoBank, consisting of two main modules: the 'Literature' module and the 'Prediction' module. The 'Literature' module serves as the largest repository of literature-supported drug repositioning data with experimental evidence, encompassing 169 repositioned drugs from 134 articles from 1 January 2000 to 1 July 2023. The 'Prediction' module employs 18 efficient algorithms, including similarity-based, artificial-intelligence-based, signature-based and network-based methods to predict repositioned drug candidates. The DrugRepoBank features an interactive and user-friendly web interface and offers comprehensive functionalities such as bioinformatics analysis of disease signatures. When users provide information about a drug, target or disease of interest, DrugRepoBank offers new indications and targets for the drug, proposes new drugs that bind to the target or suggests potential drugs for the queried disease. Additionally, it provides basic information about drugs, targets or diseases, along with supporting literature. We utilize three case studies to demonstrate the feasibility and effectiveness of predictively repositioned drugs within DrugRepoBank. The establishment of the DrugRepoBank database will significantly accelerate the pace of drug repositioning. Database URL:  https://awi.cuhk.edu.cn/DrugRepoBank.

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来源期刊
CiteScore
7.20
自引率
4.30%
发文量
567
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