Target discovery-directed pharmacological mechanism elucidation of bioactive natural products.

Abstract

Natural products, the most important chemical library with magical structures and unique functions, have long been playing significant roles in contributing to the discovery of novel drugs. The complexity and diversity of natural products present great challenges regarding the exploration of their potential targets. Identifying the targets of natural products not only enhances our understanding of biological functions and molecular mechanisms, but also paves the way for discovering novel lead compounds for disease treatment. Recent advances in technologies like chemical biology, structural biology, and artificial intelligence have provided powerful tools for pinpointing natural product target and unraveling molecular mechanisms. This review aims to comprehensively summarize the innovative strategies employed in recent years to identify natural product targets, and evaluate their impact on biological pathways by modulating target functions for pharmacological effects. Moreover, we also discuss the challenges encountered in this field and outline future research prospects, aiming to offer guidance for researchers in natural product chemical biology.