ACTP: A webserver for predicting potential targets and relevant pathways of autophagy-modulating compounds.
ACTP: A webserver for predicting potential targets and relevant pathways of autophagy-modulating compounds.
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ACTP：用于预测自噬调节化合物的潜在靶点和相关途径的网络服务器
DOI：
10.18632/oncotarget.7015
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发表时间：
2016-03-01
期刊：
影响因子：
--
通讯作者：
Liu B
中科院分区：
文献类型：
--
作者：
Xie T;Zhang L;Zhang S;Ouyang L;Cai H;Liu B
众所周知，自噬（巨噬）是一种进化上保守的溶酶体降解长寿命蛋白质和受损细胞器的过程。近年来，越来越多的证据揭示了一系列可能激活或抑制自噬的小分子化合物对人类疾病的治疗潜力。然而，靶向自噬的药物发现仍处于起步阶段。在这项研究中，我们开发了一个名为Autophagic compound - target Prediction (ACTP) （http://actp.liu-lab.com/）的web服务器，可以预测给定化合物的自噬靶点和相关途径。提交的小分子化合物与潜在自噬靶点的灵活对接可以通过后端反向对接来实现。网页将返回基于结构的分数和每个预测目标的相关路径。因此，这些结果为快速预测可能的自噬激活或自噬抑制化合物的潜在靶点/途径提供了基础，而无需进行大量的实验。此外，ACTP将有助于揭示更多新的自噬激活或自噬抑制化合物，为未来的治疗意义。
Autophagy (macroautophagy) is well known as an evolutionarily conserved lysosomal degradation process for long-lived proteins and damaged organelles. Recently, accumulating evidence has revealed a series of small-molecule compounds that may activate or inhibit autophagy for therapeutic potential on human diseases. However, targeting autophagy for drug discovery still remains in its infancy. In this study, we developed a webserver called Autophagic Compound-Target Prediction (ACTP) (http://actp.liu-lab.com/) that could predict autophagic targets and relevant pathways for a given compound. The flexible docking of submitted small-molecule compound (s) to potential autophagic targets could be performed by backend reverse docking. The webpage would return structure-based scores and relevant pathways for each predicted target. Thus, these results provide a basis for the rapid prediction of potential targets/pathways of possible autophagy-activating or autophagy-inhibiting compounds without labor-intensive experiments. Moreover, ACTP will be helpful to shed light on identifying more novel autophagy-activating or autophagy-inhibiting compounds for future therapeutic implications.