Network Pharmacology Approaches in the Study of Natural Products: From Multi-Target Interactions to Systems-Level Therapeutics

Natural products are essential sources of bioactive compounds for drug discovery. While earlier drug development relied on targeting single molecules to reduce side effects, it’s now clear that many natural products exert effects through multiple biological targets. Network pharmacology enables researchers to study how these compounds modulate complex biological networks, offering new strategies for treating multifaceted diseases.

This Research Topic aims to address the challenge of characterizing the multi-target and multi-component activities of natural products within biological systems. The goal is to move beyond reductionist approaches, fostering a system-level understanding of how natural products modulate intricate signaling pathways and networks. By leveraging computational modeling, omics technologies, and experimental validation, we seek contributions that uncover the molecular mechanisms underlying the polyvalent actions of natural products. Ultimately, this collection will advance strategies for rational drug discovery, more effective therapies, and the development of comprehensive pharmacological profiles of natural sources.

We solicit submissions focusing on the network-based investigation of natural products and their biological activities, including theoretical or computational studies that address, but are not limited to, the following themes:

•    Systems biology and network pharmacology approaches to natural product research
•    Computational prediction of natural product-target interactions
•    Experimental validation of predicted multi-target effects
•    Omics-based profiling (transcriptomics, proteomics, metabolomics) in studying natural product action
•    Elucidation of signaling pathways and molecular mechanisms underlying natural product activity
•    Structure-activity relationship analysis in the context of network interactions
•    Integrative analyses linking bioactivity with clinical or pharmacological outcomes

In addition to Original Research Papers and Reviews, we welcome shorter articles like Mini Reviews, Hypotheses, and Perspectives. 

All manuscripts should contribute to a deeper understanding of how natural products act through complex, interconnected mechanisms within biological systems.