Natural bioactive compounds remain a major foundation of drug discovery due to their structural diversity and ability to regulate multiple disease-relevant pathways. These molecules influence key biological processes, including inflammation, fibrosis, oxidative stress, hypoxia, metabolic imbalance, angiogenesis, and dysregulated cell proliferation and migration, all of which contribute to the development and progression of human diseases. Advances in extraction, purification, and analytical technologies have reshaped the study of natural bioactives. Traditional methods are increasingly complemented by innovative and sustainable approaches, such as green and solvent-free techniques, which improve efficiency while reducing environmental impact. In parallel, omics-based strategies-including genomics, transcriptomics, proteomics, and metabolomics-have become essential tools for identifying molecular targets, defining mechanisms of action, and accelerating the translation of bioactive compounds toward therapeutic applications. This Special Issue focuses on recent progress in the discovery, characterization, and development of natural bioactives as drug candidates. Topics include novel methodologies for compound isolation and identification, mechanistic and functional evaluation of bioactivities, and integrated analytical frameworks that combine omics technologies with conventional biochemical and pharmacological assays to provide a comprehensive understanding of therapeutic potential.

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