科学家找到了“神药” 二甲双胍和雷帕霉素的“天然类似物”
2017/12/04
二甲双胍是最广泛使用的2型糖尿病药物,雷帕霉素是一种常见的器官移植抗排斥药物,两者都因在“多种动物模型中展现出明显的抗衰老和抗癌作用”中被冠以“神药”之名。近期,一个国际科学家小组带来一项相关新成果:他们鉴定出了多种二甲双胍和雷帕霉素的天然类似物。


图片来源:网络

11月15日,发表在Aging杂志上的这项研究中,为了鉴定出能够模拟二甲双胍和雷帕霉素疗效,同时又能摆脱它们副作用的天然化合物,科学家们利用深度学习神经网络(deep-learning neural network),描述了800多种天然化合物与二甲双胍和雷帕霉素在安全性、基因和通路水平gene- and pathway-level方面的相似性

最终,研究鉴定出了许多先前未被报道过的二甲双胍和雷帕霉素类似物(mimetics)。其中,尿囊素(allantoin)和人参皂苷(ginsenoside)被鉴定为二甲双胍的“强烈类似物”(strong mimetics);表没食子儿茶素没食子酸酯(epigallocatechin gallate)和异甘草素(isoliquiritigenin)被鉴定为雷帕霉素的“强烈类似物”;同时,一种叫做withaferin A的物质被鉴定为二甲双胍和雷帕霉素的共同“强烈类似物”;此外,他们的分析还鉴定出了4个先前未被开发的(unexplored)天然化合物,作为雷帕霉素相当强的类似物。


图片来源:Aging

参与该研究的Franco Cortese认为,这项研究具有重要意义,不仅是因为鉴定出了二甲双胍和雷帕霉素的新型候选类似物,还因为研究证明了一种特别强大的筛选方法。这种方法可用于鉴定其它已知抗癌药或延长健康寿命的药物(和化合物)的新型、安全类似物。

据悉,今年的早些时候,研究者们推出了Young.AI。这是一个“利用近期研究进展进行深度学习,追踪各种衰老生物标志物”的复杂系统。他们的一个目标是,鉴定出能够获得理想效果的分子组合。

论文的通讯作者兼第一作者Alexey Moskalev博士说:“衰老并不被认为是一种疾病,我们可以借助天然来源的强大物质来延缓衰老,在分子和细胞水平影响衰老的关键机制。”

参考资料:

Scientists find natural mimetics of anti-cancer, anti-aging drugs metformin and rapamycin

Towards natural mimetics of metformin and rapamycin

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  • Towards natural mimetics of metformin and rapamycin

    Aging is now at the forefront of major challenges faced globally, creating an immediate need for safe, widescale interventions to reduce the burden of chronic disease and extend human healthspan. Metformin and rapamycin are two FDA-approved mTOR inhibitors proposed for this purpose, exhibiting significant anti-cancer and anti-aging properties beyond their current clinical applications. However, each faces issues with approval for off-label, prophylactic use due to adverse effects. Here, we initiate an effort to identify nutraceuticals—safer, naturally-occurring compounds—that mimic the anti-aging effects of metformin and rapamycin without adverse effects. We applied several bioinformatic approaches and deep learning methods to the Library of Integrated Network-based Cellular Signatures (LINCS) dataset to map the gene- and pathway-level signatures of metformin and rapamycin and screen for matches among over 800 natural compounds. We then predicted the safety of each compound with an ensemble of deep neural network classifiers. The analysis revealed many novel candidate metformin and rapamycin mimetics, including allantoin and ginsenoside (metformin), epigallocatechin gallate and isoliquiritigenin (rapamycin), and withaferin A (both). Four relatively unexplored compounds also scored well with rapamycin. This work revealed promising candidates for future experimental validation while demonstrating the applications of powerful screening methods for this and similar endeavors.

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