Plant-Derived Natural Products: Isolation, Structural Characterization, and Bioactivities

Dear Colleagues,

Recent advances in natural product research have been strongly propelled by the integration of complementary analytical, chemical, and biological strategies. Classical phytochemical approaches–such as extraction, fractionation, isolation, and purification–when combined with state-of-the-art spectroscopic and spectrometric techniques, including nuclear magnetic resonance (NMR) and high-resolution mass spectrometry (HRMS), have substantially expanded our ability to explore, identify, and structurally characterize the chemical diversity of plant-derived metabolites. These specialized metabolites, encompassing alkaloids, flavonoids, terpenoids, phenolics, and related compound classes, play pivotal roles in plant physiology, ecological interactions, and human health, thereby remaining central to research across plant biochemistry, molecular biology, biotechnology, food and agricultural sciences, horticulture, pharmacognosy, and drug discovery.

In this context, the present Special Issue aims to provide a comprehensive platform for original research addressing the isolation, structural characterization, annotation, and biological evaluation of natural products obtained from plant sources. We particularly encourage contributions that integrate classical phytochemical methodologies with advanced spectroscopic techniques, such as NMR, mass spectrometry (MS), infrared (IR), and ultraviolet-visible (UV-Vis) spectroscopy, modern mass spectrometry–based workflows, including liquid chromatography-mass spectrometry (LC-MS), gas chromatography-mass spectrometry (GC-MS), dereplication strategies, and robust metabolite annotation pipelines.

Beyond compound identification, submissions that combine analytical workflows with chemometric and multivariate data analysis are especially welcome, as these approaches enhance the interpretation of complex phytochemical datasets. Studies focusing on bioactivity-guided fractionation, structure–activity relationships (SAR), and the evaluation of biological properties such as antimicrobial, antioxidant, anti-inflammatory, cytotoxic, and other relevant bioactivities are, likewise, strongly encouraged. In addition, innovative analytical methodologies, including direct-injection techniques, ambient ionization mass spectrometry, and mass spectrometry imaging for elucidating the spatial distribution of metabolites in plant tissues, fall well within the scope of this Special Issue.

Through this Special Issue, we aim to highlight recent methodological advances and emerging biological insights that deepen our understanding of plant-derived natural products, while also supporting their sustainable exploration and application in health-related, agricultural, and biotechnological contexts. Through this Special Issue, we aim to highlight recent methodological advances and biological insights that deepen our understanding of plant-derived natural products and support their sustainable exploration and application in health-related and biotechnological contexts.

Dr. Felipe Moura Araújo da Silva
Dr. Hector Henrique Ferreira Koolen
Dr. Paulo Wender Portal Gomes
Guest Editors

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