About this Research Topic
The objective of this Research Topic is to showcase the latest research on the interaction of these bioactive metabolites with cellular components, and encourage possible collaborations among different disciplines of research that can contribute with their expertise to this proposed subject. For this purpose, we need to understand the nature of these molecules and their possible targets, which could be associated with a biological effect with therapeutic potential for Parkinson’s, Alzheimer's disease, amyotrophic lateral sclerosis, or Type 2 diabetes. The main goal is to reveal the cellular interaction mechanisms through a multidisciplinary background, ranging from computational to chemical biology studies.
We welcome submissions of Original Research, Review, Mini-Review, and Perspective articles, on themes including, but not limited to:
• In vitro studies on the interaction of plant bioactive metabolites with cellular components
• Computational and structural studies for the structure-activity-relationship analysis of potentially bioactive metabolites
• Theoretical or experimental mechanistic studies on plant bioactive metabolites, through quantum mechanics or molecular dynamics
• Development of novel methodologies for the discovery of plant bioactive metabolites
• Characterization of chemical reactivity of plant bioactive metabolites with antioxidant and anti-inflammatory properties by means of the use of different reactivity descriptors currently available, including Molecular Orbital Theory (MOT), Conceptual Density Functional Theory (CDFT), and Quantum Theory of Atoms in Molecules (QTAIM)
The Topic Editors would like to acknowledge Dr Felipe Gabriel Gordillo, who has acted as a coordinator and has contributed to the preparation of the proposal for this Research Topic.
Keywords: bioactive metabolites, cellular target, docking, QSAR, biological properties
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.