Target Essentiality and Centrality Characterize Drug Side Effects | Zendy

Xiujuan Wang | Zendy; Bram Thijssen | Zendy; Haiyuan Yu | Zendy

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Target Essentiality and Centrality Characterize Drug Side Effects

Author(s) -

Xiujuan Wang,

Bram Thijssen,

Haiyuan Yu

Publication year - 2013

Publication title -

plos computational biology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 2.628

H-Index - 182

eISSN - 1553-7358

pISSN - 1553-734X

DOI - 10.1371/journal.pcbi.1003119

Subject(s) - betweenness centrality , centrality , interaction network , drug , context (archaeology) , computational biology , drug target , side effect (computer science) , computer science , biology , pharmacology , genetics , mathematics , paleontology , gene , programming language , combinatorics

To investigate factors contributing to drug side effects, we systematically examine relationships between 4,199 side effects associated with 996 drugs and their 647 human protein targets. We find that it is the number of essential targets, not the number of total targets, that determines the side effects of corresponding drugs. Furthermore, within the context of a three-dimensional interaction network with atomic-resolution interaction interfaces, we find that drugs causing more side effects are also characterized by high degree and betweenness of their targets and highly shared interaction interfaces on these targets. Our findings suggest that both essentiality and centrality of a drug target are key factors contributing to side effects and should be taken into consideration in rational drug design.

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