Biological and computational evaluation of an oxadiazole derivative (MD77) as a new lead for direct STAT3 inhibitors = 새로운 STAT3 저해제로 MD77의 생물학적 및 전산학적 평가

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Title
Biological and computational evaluation of an oxadiazole derivative (MD77) as a new lead for direct STAT3 inhibitors = 새로운 STAT3 저해제로 MD77의 생물학적 및 전산학적 평가
Author(s)
D Masciocchi; S Villa; F Meneghetti; A Pedretti; D Barlocco; L Legnani; L Toma; Byoung-Mog Kwon; S Nakano; A Asai; A Gelain
Bibliographic Citation
Medchemcomm, vol. 3, no. 5, pp. 592-599
Publication Year
2012
Abstract
Signal Transducer and Activator of Transcription 3 (STAT3) is a latent cytoplasmic protein overexpressed in various cancer cell lines. STAT3 participates in oncogenesis by stimulating cell proliferation and preventing apoptosis and it has been proven as a suitable target for anticancer therapy. In order to identify direct STAT3 inhibitors, we performed a binding assay on several previously synthesized 1,2,5-oxadiazole derivatives. Among them, compound MD77, N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-(trifluoromethyl) benzamide, showed a good ability to bind the STAT3-SH2 domain in a dose-dependent manner (IC 50 = 17.7 μM). Computational studies were carried out to investigate its binding mode. Moreover, compound MD77 showed a significant anti-proliferative activity versus several tumor cell lines. On these bases, compound MD77 was selected as a lead for the future development of direct STAT3 inhibitors.
ISSN
2040-2503
Publisher
Royal Society of Chemistry
DOI
http://dx.doi.org/10.1039/c2md20018j
Type
Article
Appears in Collections:
Division of Biomedical Research > Genome Editing Research Center > 1. Journal Articles
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