安普克
PI3K/AKT/mTOR通路
化学
自噬
ULK1
活动站点
活性成分
对接(动物)
磷酸化
蛋白激酶A
生物化学
细胞生物学
癌症研究
药理学
信号转导
生物
细胞凋亡
酶
医学
护理部
作者
Herin Mawarti,Jusak Nugraha,Djoko Agus Purwanto,Joewono Soeroso
出处
期刊:Journal of physics
[IOP Publishing]
日期:2019-11-01
卷期号:1374 (1): 012044-012044
被引量:1
标识
DOI:10.1088/1742-6596/1374/1/012044
摘要
Abstract This study aims to evaluate the interaction of green tea active compounds with proteins related to mTOR signals. The in silico study uses SEA protein target software, DB strings, and AUTODOCK PYRX 9.5. There are twenty target proteins that can interact with the active compounds of green tea. Of the twenty proteins, only six proteins are connected to the mTOR pathway. Of the six proteins, one that is a regulator of mTOR inhibitors is PKCA. Epigallocatechin has the strongest interaction with PKCA 4ARA (-8 kcal / mol). Cianidanol has the strongest interaction with PKCA 3IW4 (-9.3 kcal / mol). To analyze the involvement of the autophagy, a docking between ULK1 and AMPK was conducted, and there was an interaction between ULK1 and AMPK (bond energy of -1446.11 kcal). For the interaction between mTOR and ULK1, the bond energy is -624.5 kcal. For active green tea compounds, the bonding energy is more positive than the mTOR bond with ULK1. It was concluded that the green tea active ingredient as an inhibitor control against mTOR through PKCA and ULK1-AMPK (autophagy pathway).
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