文献类型：期刊文献

英文题名：Network-Based Methods and Their Applications in Drug Discovery

作者：Yu, Zhuohang[1]; Wu, Zengrui[1]; Wang, Ze[1]; Wang, Yimeng[1]; Zhou, Moran[1]; Li, Weihua[1]; Liu, Guixia[1]; Tang, Yun[1]

机构：[1] Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China

年份：2024

卷号：64

期号：1

起止页码：57

外文期刊名：Journal of Chemical Information and Modeling

收录：EI(收录号：20240215344233)

语种：英文

摘要：Drug discovery is time-consuming, expensive, and predominantly follows the "one drug → one target → one disease" paradigm. With the rapid development of systems biology and network pharmacology, a novel drug discovery paradigm, "multidrug → multitarget → multidisease", has emerged. This new holistic paradigm of drug discovery aligns well with the essence of networks, leading to the emergence of network-based methods in the field of drug discovery. In this Perspective, we initially introduce the concept and data sources of networks and highlight classical methodologies employed in network-based methods. Subsequently, we focus on the practical applications of network-based methods across various areas of drug discovery, such as target prediction, virtual screening, prediction of drug therapeutic effects or adverse drug events, and elucidation of molecular mechanisms. In addition, we provide representative web servers for researchers to use network-based methods in specific applications. Finally, we discuss several challenges of network-based methods and the directions for future development. In a word, network-based methods could serve as powerful tools to accelerate drug discovery. ? 2023 American Chemical Society