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Drugst.One——一种用于在线系统医学和基于网络的药物重新利用的即插即用解决方案。

Drugst.One - A plug-and-play solution for online systems medicine and network-based drug repurposing.

作者信息

Maier Andreas, Hartung Michael, Abovsky Mark, Adamowicz Klaudia, Bader Gary D, Baier Sylvie, Blumenthal David B, Chen Jing, Elkjaer Maria L, Garcia-Hernandez Carlos, Helmy Mohamed, Hoffmann Markus, Jurisica Igor, Kotlyar Max, Lazareva Olga, Levi Hagai, List Markus, Lobentanzer Sebastian, Loscalzo Joseph, Malod-Dognin Noel, Manz Quirin, Matschinske Julian, Mee Miles, Oubounyt Mhaned, Pico Alexander R, Pillich Rudolf T, Poschenrieder Julian M, Pratt Dexter, Pržulj Nataša, Sadegh Sepideh, Saez-Rodriguez Julio, Sarkar Suryadipto, Shaked Gideon, Shamir Ron, Trummer Nico, Turhan Ugur, Wang Ruisheng, Zolotareva Olga, Baumbach Jan

机构信息

Institute for Computational Systems Biology, University of Hamburg, Hamburg, Germany.

Division of Orthopaedic Surgery, Schroeder Arthritis Institute, and Data Science Discovery Centre, Osteoarthritis Research Program, Krembil Research Institute, UHN, Toronto, Canada.

出版信息

ArXiv. 2023 Jul 4:arXiv:2305.15453v2.

Abstract

In recent decades, the development of new drugs has become increasingly expensive and inefficient, and the molecular mechanisms of most pharmaceuticals remain poorly understood. In response, computational systems and network medicine tools have emerged to identify potential drug repurposing candidates. However, these tools often require complex installation and lack intuitive visual network mining capabilities. To tackle these challenges, we introduce Drugst.One, a platform that assists specialized computational medicine tools in becoming user-friendly, web-based utilities for drug repurposing. With just three lines of code, Drugst.One turns any systems biology software into an interactive web tool for modeling and analyzing complex protein-drug-disease networks. Demonstrating its broad adaptability, Drugst.One has been successfully integrated with 21 computational systems medicine tools. Available at https://drugst.one, Drugst.One has significant potential for streamlining the drug discovery process, allowing researchers to focus on essential aspects of pharmaceutical treatment research.

摘要

近几十年来,新药研发成本越来越高且效率低下,大多数药物的分子机制仍未得到充分了解。作为回应,计算系统和网络医学工具应运而生,以确定潜在的药物重新定位候选药物。然而,这些工具通常需要复杂的安装过程,并且缺乏直观的可视化网络挖掘功能。为应对这些挑战,我们推出了Drugst.One平台,该平台可协助专业的计算医学工具成为用户友好的、基于网络的药物重新定位实用工具。只需三行代码,Drugst.One就能将任何系统生物学软件转变为用于建模和分析复杂蛋白质-药物-疾病网络的交互式网络工具。Drugst.One展示了其广泛的适应性,已成功与21种计算系统医学工具集成。Drugst.One可在https://drugst.one上获取,在简化药物发现过程方面具有巨大潜力,使研究人员能够专注于药物治疗研究的关键方面。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/492a/10331895/8341185526fd/nihpp-2305.15453v2-f0001.jpg

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