Yan Ribai, Chuang Hsiao-Ching, Kapuriya Naval, Chou Chih-Chien, Lai Po-Ting, Chang Hsin-Wen, Yang Chia-Ning, Kulp Samuel K, Chen Ching-Shih
Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy and Comprehensive Cancer Center, The Ohio State University , Columbus, Ohio 43210, United States.
J Med Chem. 2015 Mar 12;58(5):2290-8. doi: 10.1021/jm501751b. Epub 2015 Feb 27.
Previously, we reported that Akt inactivation by γ-tocopherol (2) in PTEN-negative prostate cancer cells resulted from its unique ability to facilitate membrane co-localization of Akt and PHLPP1 (PH domain leucine-rich repeat protein phosphatase isoform 1), a Ser473-specific Akt phosphatase, through pleckstrin homology (PH) domain binding. This finding provided a basis for exploiting 2 to develop a novel class of PHLPP1-targeted Akt inhibitors. Here, we used 3 (γ-VE5), a side chain-truncated 2 derivative, as a scaffold for lead optimization. The proof-of-concept of this structural optimization was obtained by 20, which exhibited higher antitumor efficacy than 3 in PTEN-negative cancer cells through PHLPP1-facilitated Akt inactivation. Like 3, 20 preferentially recognized the PH domains of Akt and PHLPP1, as its binding affinities for other PH domains, including those of ILK and PDK1, were an order-of-magnitude lower. Moreover, 20 was orally active in suppressing xenograft tumor growth in nude mice, which underlines the translational potential of this new class of Akt inhibitor in PTEN-deficient cancers.
此前,我们报道过,在PTEN阴性前列腺癌细胞中,γ-生育酚(2)使Akt失活,这是由于它具有独特能力,可通过普列克底物蛋白同源(PH)结构域结合,促进Akt与PHLPP1(PH结构域富含亮氨酸重复序列蛋白磷酸酶同工型1,一种Ser473特异性Akt磷酸酶)在细胞膜上共定位。这一发现为利用2开发新型靶向PHLPP1的Akt抑制剂提供了依据。在此,我们使用3(γ-VE5),一种2的侧链截短衍生物,作为先导优化的骨架。这种结构优化的概念验证是通过20实现的,在PTEN阴性癌细胞中,20通过PHLPP1促进的Akt失活,表现出比3更高的抗肿瘤功效。与3一样,20优先识别Akt和PHLPP1的PH结构域,因为它对其他PH结构域(包括整合素连接激酶和3-磷酸肌醇依赖性蛋白激酶-1的PH结构域)的结合亲和力低一个数量级。此外,20在抑制裸鼠异种移植瘤生长方面具有口服活性,这突出了这类新型Akt抑制剂在PTEN缺陷型癌症中的转化潜力。