In the recent past, drugs were discovered trough the evaluation of their efficacy in pharmacologically-relevant models, often without details on their molecular targets and/or their action mode. However, if the cellular partners of bioactive compounds are unknown, it is hard to understand how they can exert their specific activity. Besides this, even when the primary partners are known, a thorough analysis of a bioactive compound interactome could enlighten its so called off-targets or secondary ones, either giving precious insights into the compound potential toxicity or deepening the understanding of its poly-pharmacological profile, as promiscuous binding has a critical role in pharmacological relevant mechanisms. Nowadays, the advances in high-throughput screening have sped up the discovery of biologically active molecules. In this scenario, omics-based strategies are the golden standard for target identification as well as for the investigation of target-ligand interactions, giving precious information on drugs binding sites, targets conformational changes, stoichiometry and association-dissociation processes. Furthermore, omics could contribute in clarifying downstream metabolic processes associated with a certain molecule administration. As such, omics approaches can undoubtedly provide scientists with a precise and complete picture of drugs mechanisms of action and their applications for targeted diseases during the drug discovery process.
The aim of this Research Topic is to report investigations on bioactive compounds molecular targets and their mode of action, obtained by multi-disciplinary approaches mainly based on omics sciences. Thus, as Guest Editors, we would like to invite scientists to publish their developments in the field of target discovery and protein-ligand interactions achieved by innovative omics strategies, both from a chemical and a biological viewpoint.
We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Drug-target deconvolution
• Bioactive compounds - target interaction
• Bioactive compounds mode of action investigation
• Omics to disclose molecules’ mode of action in biological systems
• Omics to evaluate protein expression variations upon drug administration
• Omics to evaluate metabolite pool variations upon drug administration
Keywords:
Proteomics, Metabolomics, Bioactive Compounds, Protein Targets, Ligand-Protein Interactions
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.
In the recent past, drugs were discovered trough the evaluation of their efficacy in pharmacologically-relevant models, often without details on their molecular targets and/or their action mode. However, if the cellular partners of bioactive compounds are unknown, it is hard to understand how they can exert their specific activity. Besides this, even when the primary partners are known, a thorough analysis of a bioactive compound interactome could enlighten its so called off-targets or secondary ones, either giving precious insights into the compound potential toxicity or deepening the understanding of its poly-pharmacological profile, as promiscuous binding has a critical role in pharmacological relevant mechanisms. Nowadays, the advances in high-throughput screening have sped up the discovery of biologically active molecules. In this scenario, omics-based strategies are the golden standard for target identification as well as for the investigation of target-ligand interactions, giving precious information on drugs binding sites, targets conformational changes, stoichiometry and association-dissociation processes. Furthermore, omics could contribute in clarifying downstream metabolic processes associated with a certain molecule administration. As such, omics approaches can undoubtedly provide scientists with a precise and complete picture of drugs mechanisms of action and their applications for targeted diseases during the drug discovery process.
The aim of this Research Topic is to report investigations on bioactive compounds molecular targets and their mode of action, obtained by multi-disciplinary approaches mainly based on omics sciences. Thus, as Guest Editors, we would like to invite scientists to publish their developments in the field of target discovery and protein-ligand interactions achieved by innovative omics strategies, both from a chemical and a biological viewpoint.
We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Drug-target deconvolution
• Bioactive compounds - target interaction
• Bioactive compounds mode of action investigation
• Omics to disclose molecules’ mode of action in biological systems
• Omics to evaluate protein expression variations upon drug administration
• Omics to evaluate metabolite pool variations upon drug administration
Keywords:
Proteomics, Metabolomics, Bioactive Compounds, Protein Targets, Ligand-Protein Interactions
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.