Department of Chemistry, Zhejiang University, Hangzhou, 310058, Zhejiang Province, China.
Key Laboratory of Precise Synthesis of Functional Molecules of Zhejiang Province, Department of Chemistry, School of Science, Westlake University, 18 Shilongshan Road, Hangzhou, 310024, Zhejiang Province, China.
Chembiochem. 2023 May 2;24(9):e202200775. doi: 10.1002/cbic.202200775. Epub 2023 Apr 4.
Bioinformatics has become an indispensable tool for natural products research in the genomic era. One of the key challenges is to accurately convert sequence data of a biosynthetic gene cluster into chemical information such as the enzymatic function or the biosynthetic product structure. Type II polyketide synthase is the most bioinformatically well-studied class of non-modular biosynthetic machinery and represents a model system to showcase bioinformatic applications in natural products research. This review takes a bioinformatics-centered perspective and summarizes the past advances and future opportunities of bioinformatics-guided research on type II polyketide synthases. How bioinformatics has contributed to deepen the chemical understanding of type II PKSs will be discussed with the focus on enzymology, evolution, structural prediction of the biosynthetic products, genome mining, and the global analyses of their polyketide products.
生物信息学已成为基因组时代天然产物研究不可或缺的工具。其中一个关键挑战是将生物合成基因簇的序列数据准确地转化为化学信息，如酶功能或生物合成产物结构。Ⅱ型聚酮合酶是生物信息学研究最充分的非模块化生物合成机制之一，是展示生物信息学在天然产物研究中应用的模型系统。本文从生物信息学的角度出发，总结了生物信息学指导的Ⅱ型聚酮合酶研究的过去进展和未来机遇。本文将重点讨论生物信息学如何有助于加深对Ⅱ型 PKS 的化学理解，包括酶学、进化、生物合成产物的结构预测、基因组挖掘以及它们的聚酮产物的全局分析。
