Recent Advances on the Network Models in Target-based Drug Discovery

Author(s): Wenying Yan, Daqing Zhang, Chen Shen, Zhongjie Liang*, Guang Hu*

Journal Name: Current Topics in Medicinal Chemistry

Volume 18 , Issue 13 , 2018

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Graphical Abstract:


With the advancement of “proteomics” data and systems biology, new techniques are needed to meet the new era of drug discovery. Network theory is increasingly applied to describe complex biological systems, thus implying its essential roles in system-based drug design. In this review, we first summarized general network parameters used in describing biological systems, and then gave some recent applications of these network parameters as topological indices in drug design in terms of Protein Structure Networks (PSNs), Protein-Protein Interaction Networks (PPINs) including related structural PPINs, and Elastic Network Models (ENMs). These network models have enabled the development of new drugs relying on allosteric effects, describing anti-cancer targets, targeting hot spots and key proteins at the protein-protein interfaces and PPINs, and helped drug design by modulating conformational flexibility. Accordingly, we highlighted the integration of network models bringing new paradigms into the next-generation target-based drug discovery.

Keywords: Allosteric drugs, Biological networks, Drug targets, Hot spots, structural PPINs, Target flexibility.

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Article Details

Year: 2018
Page: [1031 - 1043]
Pages: 13
DOI: 10.2174/1568026618666180719152258
Price: $65

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