Artificial intelligence in microbial natural product drug discovery: current and emerging role

Abstract

Artificial Intelligence (AI) is being widely recognized these days for natural product research. In this article, we highlight the importance of AI and its application in various stages of natural product identification and characterization.

A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data

“…For example, the Natural Products Atlas is engaged in an ongoing project to create cross-links to the NP-MRD, GNPS, and MIBiG, providing a central hub for integrating structural, taxonomic, biosynthetic, and spectroscopic data for microbial natural products. Separately the NP-MRD is being recognized as a valuable resource for future applications in metabolomics and small-molecule discovery, including computer-aided structure elucidation …”

“…Separately the NP-MRD is being recognized as a valuable resource for future applications in metabolomics and small-molecule discovery, including computer-aided structure elucidation. 17…”

Machine learning-assisted structure annotation of natural products based on MS and NMR data

“…13–18 In the field of NPs research, ML has been utilized extensively to aid in elucidating the biological effects of NPs and drug discovery based on NPs, and several related reviews have been published. 19–21…”

Action of the fungal compound citrinin, a bioherbicide candidate, on photosystem II

“…Microorganisms and plants are exceptional sources of natural products, which have been the inspiration for discovery of new pesticide active ingredients 8 . In the past two decades, the isolation and analysis of a large and diverse array of natural products has been a cornerstone for the development of the modern agrochemical industry 9,10 . These chemically diverse compounds, many with novel action targets, can serve as products or scaffolds for new herbicides, which may be used as tools for sustainable weed management 1,11 …”