通过计算方法发现SIRT1/2抑制剂的最新进展:一个前景
Naomi Scarano1, Chiara Brullo1, Francesca Musumeci1
1Department of Pharmacy, Section of Medicinal Chemistry, School of Medical and Pharmaceutical Sciences, University of Genoa, Viale Benedetto XV, 3, 16132 Genoa, Italy.
Pharmaceuticals (Basel, Switzerland)
|May 25, 2024
概括
本综述探讨了新型Sirtuin抑制剂 (SIRT) 用于治疗与SIRT失调相关的疾病. 它强调了计算方法和识别选择性SIRT1/2调节器的最新发现.
科学领域:
- 生物化学和分子生物学
- 药用化学 医学化学
- 计算生物学 计算生物学
背景情况:
- 赛尔图因 (SIRT) 是III类的基因素脱乙酶 (HDACs),涉及转录,新陈代谢和基因组稳定性等关键生物途径.
- 对SIRT的失调与各种疾病有关,包括癌症,神经退行性疾病,糖尿病以及心血管和自身免疫疾病.
- SIRT-连接体复合体的结构数据促进了针对性调节器的开发.
研究的目的:
- 审查最近的基于结构的方法和配体,用于识别新型和选择性Sirtuin 1和2 (SIRT1/2) 调制剂.
- 为发现SIRT1/2抑制剂 (SIRTI) 的计算方法提供全面的视角.
- 要突出自2017年以来在文献中报告的重要SIRTI.
主要方法:
- 对计算方法和已识别的SIRT1/2抑制剂的文献综述.
- 对SIRT-连接体复合物的结构数据的分析.
- 从主要的科学数据库 (SciFinder,科学网,Scopus,谷歌学者,PubMed) 收集数据,使用特定的关键词.
主要成果:
- 识别和讨论SIRT1/2抑制剂发现的成功计算策略.
- 介绍了近期科学文献中出现的有前途的SIRTI (2017年以后).
- 强调使用的带和基于结构的方法的多样性.
结论:
- 基于计算和结构的方法在识别新型SIRT1/2调节器方面是有效的.
- 最近的进展已经产生了有前途的SIRTI,具有潜在的治疗应用.
- 对SIRT调节器的持续研究对于解决与SIRT失调相关的疾病至关重要.
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