洞察计算机辅助药物设计和发现的洞察力,基于用于癌症治疗的 antraquinone 支架:系统审查的协议
Hui Ming Chua1, Said Moshawih1, Hui Poh Goh1
1PAP Rashidah Sa'adatul Bolkiah Institute of Health Sciences, University Brunei Darussalam, Gadong, Brunei Darussalam.
PloS one
|September 1, 2023
概括
本系统性审查探讨了计算机辅助药物设计 (CADD) 用于开发基于 antraquinone 的新型抗癌药物. 它旨在指导未来的研究,以提高癌症治疗的效率和安全性.
科学领域:
- 药用化学 医学化学
- 计算生物学 计算生物学
- 在瘤学瘤学.
背景情况:
- 由于耐药性和不良事件,癌症治疗中的未满足的医疗需求仍然存在.
- 计算机辅助药物设计 (CADD) 为药物开发提供了一种简化方法.
- antraquinones 是天然化合物,具有独特的支架,表现出抗癌特性.
研究的目的:
- 系统地审查计算机辅助药物设计和发现工作,专注于用于癌症治疗的 antraquinone 支架.
- 确定CADD方法和向蛋白质的趋势,以发现基于 antraquinone 的抗癌药物.
- 为开发具有增强疗效和安全性的新型 antraquinone 衍生物提供基于证据的指南.
主要方法:
- 遵循PRISMA-P 2015指南的系统审查协议,注册在PROSPERO.
- 在PubMed,Scopus,Web of Science和MedRxiv中使用相关关键字进行全面的文献搜索.
- 包含使用CADD设计/发现基于 antraquinone 的抗癌药物的原始研究,并由两个独立审稿人进行数据提取和偏差风险评估.
主要成果:
- 该审查将阐明CADD当前的趋势和方法,以发现 antraquinone 抗癌药物.
- 它将识别关键的标蛋白质,这些蛋白质涉及到通过 antraquinone 化合物治疗癌症.
- 这些发现将突出CADD在优化用于临床前和临床开发的资源配置中的作用.
结论:
- 这一系统性审查将为基于 antraquinone 的癌症治疗方法的 CADD 应用提供宝贵的见解.
- 该研究旨在支持正在进行的研究,提高成功率,并指导新型,更安全,更有效的抗癌药物的设计.
- 这些发现将作为未来该领域药物开发的科学基础.
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