Molecular insights fast-tracked: AI in biosynthetic pathway research

IF 10.6 1区化学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY Natural Product Reports Pub Date : 2025-03-03 DOI:10.1039/d4np00003j

Lijuan Liao , Mengjun Xie , Xiaoshan Zheng , Zhao Zhou , Zixin Deng , Jiangtao Gao

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Abstract

Covering: 2000 to 2025

This review explores the potential of artificial intelligence (AI) in addressing challenges and accelerating molecular insights in biosynthetic pathway research, which is crucial for developing bioactive natural products with applications in pharmacology, agriculture, and biotechnology. It provides an overview of various AI techniques relevant to this research field, including machine learning (ML), deep learning (DL), natural language processing, network analysis, and data mining. AI-powered applications across three main areas, namely, pathway discovery and mining, pathway design, and pathway optimization, are discussed, and the benefits and challenges of integrating omics data and AI for enhanced pathway research are also elucidated. This review also addresses the current limitations, future directions, and the importance of synergy between AI and experimental approaches in unlocking rapid advancements in biosynthetic pathway research. The review concludes with an evaluation of AI's current capabilities and future outlook, emphasizing the transformative impact of AI on biosynthetic pathway research and the potential for new opportunities in the discovery and optimization of bioactive natural products.

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分子洞察快速追踪：人工智能在生物合成途径研究中的应用。

本综述探讨了人工智能（AI）在解决生物合成途径研究中的挑战和加速分子洞察方面的潜力，这对于开发具有生物活性的天然产品在药理学、农业和生物技术中的应用至关重要。它概述了与该研究领域相关的各种人工智能技术，包括机器学习（ML）、深度学习（DL）、自然语言处理、网络分析和数据挖掘。本文讨论了三个主要领域的人工智能应用，即途径发现和挖掘、途径设计和途径优化，并阐明了整合组学数据和人工智能以增强途径研究的好处和挑战。这篇综述还讨论了当前的局限性、未来的方向，以及人工智能和实验方法之间的协同作用对解锁生物合成途径研究的快速进展的重要性。本文最后对人工智能的当前能力和未来前景进行了评估，强调了人工智能对生物合成途径研究的变革性影响，以及在发现和优化生物活性天然产物方面的新机遇。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Natural Product Reports 化学-生化与分子生物学

CiteScore

21.20

自引率

3.40%

发文量

127

审稿时长

1.7 months

期刊介绍： Natural Product Reports (NPR) serves as a pivotal critical review journal propelling advancements in all facets of natural products research, encompassing isolation, structural and stereochemical determination, biosynthesis, biological activity, and synthesis. With a broad scope, NPR extends its influence into the wider bioinorganic, bioorganic, and chemical biology communities. Covering areas such as enzymology, nucleic acids, genetics, chemical ecology, carbohydrates, primary and secondary metabolism, and analytical techniques, the journal provides insightful articles focusing on key developments shaping the field, rather than offering exhaustive overviews of all results. NPR encourages authors to infuse their perspectives on developments, trends, and future directions, fostering a dynamic exchange of ideas within the natural products research community.