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Updated: May 7, 2026

Identification of Kinase-substrate Pairs Using High Throughput Screening
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通过基于组合的虚拟选方法,生物评估和分子动力学模拟来识别针对PI3Kα的新型抑制剂

Hui Zhang1,2, Hua-Zhao Qi3, Ya-Juan Li3

  • 1College of Life Science, Northwest Normal University, Lanzhou, 730070, Gansu, People's Republic of China. zhanghuisky@nwnu.edu.cn.

Journal of computer-aided molecular design
|November 11, 2024
PubMed
概括

研究人员通过虚拟查确定了一种新的PIK3CA抑制剂,hit15. 这种强大的PI3Kα抑制剂对开发针对过度激活PI3Kα通路的新型癌症疗法充满希望.

关键词:
生物评估 生物评估分子动力学分子动力学这是一种PI3Kα抑制剂.虚拟选是一个虚拟的选.

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The mammalian target of rapamycin  (mTOR) is a serine/threonine kinase that regulates growth, proliferation, and cell survival in response to hormones, growth factors, or nutrient availability. This kinase exists in two structurally and functionally distinct forms: mTOR complex 1  (mTORC1) and mTOR complex 2  (mTORC2). The first form (mTORC1) is composed of a rapamycin-sensitive Raptor and proline-rich Akt substrate, PRAS40. In contrast,  mTORC2 consists of a rapamycin-insensitive companion...