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Scientific Reports

Scientific Reports

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LINCS L1000 dataset-based repositioning of CGP-60474 as a highly potent anti-endotoxemic agent

Published:8 October 2018 DOI: 10.1038/s41598-018-33039-0 PMID: 30297806
Hyun-Wook Han, Soojung Hahn, Hye Yun Jeong, Joo-Hyun Jee, Myoung-Ok Nam, Han Kyung Kim, Dong Hyeon Lee, So-Young Lee, Dong Kyu Choi, Ji Hoon Yu, Sang-Hyun Min, Jongman Yoo

Abstract

Sepsis is one of the most common clinical syndromes that causes death and disability. Although many studies have developed drugs for sepsis treatment, none have decreased the mortality rate. The aim of this study was to identify a novel treatment option for sepsis using the library of integrated network-based cellular signatures (LINCS) L1000 perturbation dataset based on an in vitro and in vivo sepsis model. Sepsis-related microarray studies of early-stage inflammatory processes in patients and innate immune cells were collected from the Gene Expression Omnibus (GEO) data repository and used for candidate drug selection based on the LINCS L1000 perturbation dataset. The anti-inflammatory effects of the selected candidate drugs were analyzed using activated macrophage cell lines. CGP-60474, an inhibitor of cyclin-dependent kinase, was the most potent drug. It alleviated tumor necrosis factor-α (TNF-α) and interleukin-6 (IL-6) in activated macrophages by downregulating the NF-κB activity, and it reduced the mortality rate in LPS induced endotoxemia mice. This study shows that CGP-60474 could be a potential therapeutic candidate to attenuate the endotoxemic process. Additionally, the virtual screening strategy using the LINCS L1000 perturbation dataset could be a cost and time effective tool in the early stages of drug development.

Substances (24)

Materials
Procduct Name CAS Molecular Formula Supplier Price
WORTMANNIN 19545-26-7 C23H24O8 290 suppliers $24.00-$4697.10
WORTMANNIN 19545-26-7 C23H24O8 290 suppliers $24.00-$4697.10
WORTMANNIN 19545-26-7 C23H24O8 290 suppliers $24.00-$4697.10
WORTMANNIN 19545-26-7 C23H24O8 290 suppliers $24.00-$4697.10
BI 2536 755038-02-9 C28H39N7O3 207 suppliers $30.00-$2841.00
BI 2536 755038-02-9 C28H39N7O3 207 suppliers $30.00-$2841.00
BI 2536 755038-02-9 C28H39N7O3 207 suppliers $30.00-$2841.00
BI 2536 755038-02-9 C28H39N7O3 207 suppliers $30.00-$2841.00
ZSTK474 475110-96-4 C19H21F2N7O2 193 suppliers $16.00-$3811.50
ZSTK474 475110-96-4 C19H21F2N7O2 193 suppliers $16.00-$3811.50

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