分子到医学:自然产品药物发现的代谢学进步
Victoria Deleray1, Pieter C Dorrestein2, Nicole E Avalon3
1Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92037-1306, USA.
Current opinion in biotechnology
|November 1, 2025
概括
代谢学的进步正在加速自然产品药物发现. 新的计算和分析技术提高了效率,减少了寻找新药化合物的冗余性.
科学领域:
- 药理学和天然产品化学
- 分析化学和新陈代谢学
背景情况:
- 自然产品 (NPs) 是现代药物的重要来源,具有多样化的生物活性.
- 代谢学已经成为加速发现新型NP的强大工具.
- 在过去的两年里,代谢技术取得了重大进展.
研究的目的:
- 对天然产品的最新创新代谢发现技术进行审查.
- 以突出核磁共振 (NMR) 和基于质谱 (MS) 的代谢学方面的进展.
- 讨论用于优先考虑新型NP候选人的计算策略,减少冗余研究.
主要方法:
- 专注于基于核磁共振 (NMR) 和质谱 (MS) 的代谢学.
- 综述过去两年的研究,从小样本分析到大规模数据驱动方法.
- 突出用于样本优先级,结构新性评估和生物活性交叉引用的计算工具.
主要成果:
- 创新的计算策略可以根据结构性新性对样本进行优先排序.
- 结构数据与生物活性信息的整合增强了NP发现.
- 除了简单的图书馆匹配之外,开发先进的注释技术.
结论:
- 代谢学平台正在不断发展,以提高药物NP的发现效率和可能性.
- 战略性数据利用是尽量减少重新发现和方法冗余的关键.
- 代谢NP发现的未来方向旨在加强药物潜在的识别.
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