Rema A. Ballg

From Metabolomic Fingerprints to Therapeutic Leads: Integrating ‎LC-MS/GC-MS, Network Pharmacology, Molecular Dynamics, and ‎Artificial Intelligence in Natural-Product Drug Discovery

Natural products remain a major source of pharmacologically active scaffolds, but converting complex extracts into validated drug leads is still slow and uncertain. A major challenge is not metabolite detection itself, but establishing a reliable link between chemical identity, molecular target, mechanism of action, ex...