Chemistry Towards Biology: Advances at the Molecular Frontier

The chemistry–biology interface is one of the most dynamic and productive spaces in modern science. From unravelling the molecular mechanisms of enzymes to harnessing AI for biomolecular prediction, researchers working across these disciplines are reshaping our understanding of life at the molecular level and translating that knowledge into new diagnostics, therapeutics, and materials.

This Research Topic is organised in association with the 12th Chemistry towards Biology (CTB12) conference, held in Siena, Italy (July 6–9, 2026), a long-running series that has brought together leading molecular scientists from around the world for over two decades. CTB12 explores the full breadth of chemistry and biology’s shared frontier, from the coordination chemistry of metal ions in biological systems to the computational tools now redefining structural and spectroscopic analysis.

Contributions are not limited to conference attendees. We invite contributions across the scientific themes of CTB12, including but not limited to:

• Bioinorganic and metal-based systems - metal ion speciation, metalloprotein function, and metal-based drug candidates
• Chemical biology and synthetic biosystems - bioorthogonal chemistry, engineered pathways, and synthetic biology tools
• Biophysical and spectroscopic methods - NMR, EPR, mass spectrometry, and X-ray approaches applied to biological systems
• Enzyme mechanisms and biocatalysis - mechanistic studies and engineering of enzymatic function
• Metabolomics and systems-level molecular profiling - untargeted and targeted metabolite analysis in health and disease
• Drug discovery and molecular therapeutics - target identification, molecular design, and preclinical validation
• Biomaterials and nanostructures for health and environment - functional materials at the bio–nano interface
• AI-driven biomolecular simulation and spectroscopic prediction - machine learning approaches to structure, dynamics, and spectra
• Food chemistry and bioactive natural compounds - molecular characterisation of bioactive agents and their biological activity

Article types and fees

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Brief Research Report
• Data Report
• Editorial
• FAIR² Data
• Hypothesis and Theory
• Methods
• Mini Review
• Opinion
• Original Research
• ... View all formats

Articles that are accepted for publication by our external editors following rigorous peer review incur a publishing fee charged to Authors, institutions, or funders.

Article types

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Brief Research Report
• Data Report
• Editorial
• FAIR² Data
• Hypothesis and Theory
• Methods
• Mini Review
• Opinion
• Original Research
• Perspective
• Review

Keywords: chemical biology, bioinorganic chemistry, drug discovery, metalloprotein, machine learning, structural biology, metabolomics, bioorthogonal chemistry, amyloid aggregation, biocatalysis

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.