期刊
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
卷 122, 期 -, 页码 178-184出版社
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2016.06.018
关键词
SENP1 inhibitor; In silica screening; Rational design; Cancer
资金
- National Science Foundation of China [81222042, 81573264]
- Ministry of Science and Technology of China [2012CB518001]
- Young Teacher Start Plan of SJTU [14X100040051]
- E-Institutes of Shanghai Universities (EISU) Chemical Biology Division (E-Institutes of Shanghai Municipal Education Commission Project) [E09013]
The small ubiquitin-related modifier (SUMO)-specific proteases (SENPs) catalyze the deconjugation of SUMO from their substrate proteins. SENP1 which is the most studied isoform is closely related to many cancers such as prostate cancer and colon cancer, thus representing a potential therapeutic target for cancer treatment. In the present study, we identified eleven SENP1 inhibitors representing a variety of scaffolds through in silico screening. Based on these scaffolds, a series of new compounds were designed and synthesized in order to improve their SENP1 inhibitory potency. As a result, compounds with IC50 as low as 3.5 mu M (compound 13m) were obtained and a preliminary structure-activity relationship was discussed. (C) 2016 Elsevier Masson SAS. All rights reserved.
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