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Virtual screening and biological evaluation of PPARγ antagonists as potential anti-prostate cancer agents
Bioorganic & Medicinal Chemistry ( IF 3.5 ) Pub Date : 2021-08-13 , DOI: 10.1016/j.bmc.2021.116368
Suliman Almahmoud 1 , Catherine C Elix 2 , Jeremy O Jones 2 , Corey R Hopkins 1 , Jonathan L Vennerstrom 1 , Haizhen A Zhong 3
Affiliation  

The peroxisome proliferator-activated receptor gamma (PPARγ) was identified as an oncogene and it plays a key role in prostate cancer (PC) development and progression. PPARγ antagonists have been shown to inhibit PC cell growth. Herein, we describe a virtual screening-based approach that led to the discovery of novel PPARγ antagonist chemotypes that bind at the allosteric pocket. Arg288, Lys367, and His449 appear to be important for PPARγ antagonist binding.



中文翻译:

PPARγ拮抗剂作为潜在抗前列腺癌药物的虚拟筛选和生物学评价

过氧化物酶体增殖物激活受体 γ (PPARγ) 被鉴定为致癌基因,它在前列腺癌 (PC) 的发展和进展中起关键作用。PPARγ 拮抗剂已被证明可抑制 PC 细胞生长。在此,我们描述了一种基于虚拟筛选的方法,该方法导致发现了在变构口袋处结合的新型 PPARγ 拮抗剂化学型。Arg288、Lys367 和 His449 似乎对 PPARγ 拮抗剂的结合很重要。

更新日期:2021-08-23
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