Advancing Natural Products Characterization for Sustainable Agriculture and Pharmaceuticals

The field of biologically active alkaloids and terpenes is gaining significant attention due to its potential to address pressing agricultural and pharmaceutical challenges. The continuous growth in global population necessitates increased food production, which is currently unattainable without the use of agrochemicals. However, the over-reliance on chemical herbicides has led to the emergence of resistant plant species, posing a significant threat to agricultural productivity. Recent studies have highlighted the need for novel natural compounds that can effectively manage vegetation and enhance yields. Despite advancements in chemical synthesis and analytical techniques, there remains a gap in the comprehensive understanding of the structure and function of these compounds. Current research is focused on identifying and characterizing these compounds using advanced analytical methods, yet there is a need for more precise and efficient approaches to fully harness their potential.

This research topic aims to explore the structure identification of both synthetic and natural compounds through advanced analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and infrared (IR) spectroscopy. The research will also delve into the use of theoretical calculations and computational methods to assist in structure determination, thereby enhancing the accuracy and efficiency of the process. Additionally, the research seeks to apply Computer-Aided Drug Design (CADD) tools to identify potential drug candidates and evaluate their biological interactions and applications. The ultimate goal is to optimize the biological properties of natural compounds and explore structural modifications to enhance bioactivity while minimizing side effects.

To gather further insights in the realm of biologically active alkaloids and terpenes, we welcome articles addressing, but not limited to, the following themes:
- Methods for identification of natural bioactive compounds and their chemical structure characterization
- Computer-Aided Drug Design (CADD) Tools
- Theoretical calculations as a tool to assist in structure characterization
- Biological evaluation of the characterized natural compounds
- Impact of compounds on pest or weed populations and their safety for non-target organisms
- Pharmacokinetics of natural and synthetic compounds
- Application of computational prediction of NMR spectra in structure elucidation
- Testing of fertilizers and growth regulators in agricultural contexts

Keywords: alkaloids, terpenes, population expansion, agrochemicals, natural compounds.

Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.