Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.

Mingming Zhang, Weiliang Zhu, Ning Ding, Wei Zhang, Yingxia Li

School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 201203, China.

Bioorganic & medicinal chemistry letters 2013 Apr 1

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Inhibition of the signal transducer and activator of transcription 3 (STAT3) signaling pathway has been considered a novel therapeutic strategy to treat human cancers that harbor aberrantly-active STAT3. In this study, a series of small molecules were identified as novel inhibitors of STAT3 signaling pathway through virtual screening. A tricyclic scaffold containing compound, 6, was identified as an inhibitor of IL-6/STAT3 signaling with an IC50 of 26.68 μM. In addition, this compound inhibited Tyr705 phosphorylation of STAT3 and had no obvious effect on upstream tyrosine kinases. Thus, compound 6 is a potential lead structure and valuable for further drug development. Copyright © 2013 Elsevier Ltd. All rights reserved.

Citation

Mingming Zhang, Weiliang Zhu, Ning Ding, Wei Zhang, Yingxia Li. Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening. Bioorganic & medicinal chemistry letters. 2013 Apr 1;23(7):2225-9