针对癌症的激酶向小分子的计算机辅助识别:对AKT蛋白的审查
Erika Primavera1, Deborah Palazzotti1, Maria Letizia Barreca1
1Department of Pharmaceutical Sciences, "Department of Excellence 2018-2022", University of Perugia, 06123 Perugia, Italy.
Pharmaceuticals (Basel, Switzerland)
|July 29, 2023
概括
计算机辅助药物设计确定了用于癌症治疗的AKT抑制剂. 本综述总结了验证的小分子,并建议AKT抑制疗法的未来研究方向.
科学领域:
- 生物化学 生物化学
- 药理学 药理学是指药理学的学科.
- 在瘤学瘤学.
背景情况:
- 在细胞信号传递中,PI3K/AKT/mTOR通路至关重要.
- 过度激活的AKT与癌症的发展和化学疗法耐药性有关.
研究的目的:
- 为提供AKT抑制剂的全面概述.
- 突出计算机辅助药物设计 (CADD) 方法来识别AKT抑制剂.
- 讨论验证的具有抗癌活性的小分子.
主要方法:
- 虚拟查 (基于对接和基于药)
- 机器学习方法的机器学习方法
- 定量结构-活动关系 (QSAR)
主要成果:
- 使用CADD识别各种AKT抑制剂.
- 证明抗癌活性的小分子的验证.
- 药物发现的成功计算策略的摘要.
结论:
- 在发现AKT抑制剂方面,CADD方法是有效的.
- 经过验证的AKT抑制剂在癌症治疗中表现有前途.
- 未来的研究应该探索针对AKT向治疗的新型CADD方法.
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