Department of Chemistry and Biochemistry, Augustana University, 2001 S Summit Ave., Sioux Falls, SD 57197, USA.
Institute of Interventional & Vascular Surgery, Tongji University, Shanghai 200072, China.
Molecules. 2022 Nov 28;27(23):8280. doi: 10.3390/molecules27238280.
Natural products and their derivatives have been shown to be effective drug candidates against various diseases for many years. Over a long period of time, nature has produced an abundant and prosperous source pool for novel therapeutic agents with distinctive structures. Major natural-product-based drugs approved for clinical use include anti-infectives and anticancer agents. This paper will review some natural-product-related potent anticancer, anti-HIV, antibacterial and antimalarial drugs or lead compounds mainly discovered from 2016 to 2022. Structurally typical marine bioactive products are also included. Molecular modeling, machine learning, bioinformatics and other computer-assisted techniques that are very important in narrowing down bioactive core structural scaffolds and helping to design new structures to fight against key disease-associated molecular targets based on available natural products are considered and briefly reviewed.
天然产物及其衍生物多年来已被证明是针对各种疾病的有效候选药物。在很长一段时间里，自然界产生了丰富多样的新型治疗药物源池，这些药物具有独特的结构。主要基于天然产物的已批准用于临床的药物包括抗感染药和抗癌药。本文将综述一些主要从 2016 年到 2022 年发现的具有抗肿瘤、抗 HIV、抗菌和抗疟疾活性的天然产物或先导化合物。还包括一些结构典型的海洋生物活性产物。本文考虑并简要综述了在缩小生物活性核心结构支架和帮助设计基于现有天然产物对抗关键疾病相关分子靶标的新结构方面非常重要的分子建模、机器学习、生物信息学和其他计算机辅助技术。
