My work is focused on the Chemical Biology area with special emphasis on the domains of Chemical Toxicology and Biomarker Discovery. Dedicated efforts have been placed on unrevealing the underlying molecular mechanisms of toxicity of chemical agents of endogenous, environmental, drug and dietary sources. This encompasses not only the identification of the metabolic fate of these agents but also the ability to covalently modifying DNA and proteins, forming covalent adducts. This multidisciplinary work comprises the development of synthetic methodologies that mimic metabolic reactions, the synthesis and characterization of standards (metabolites and adducts formed with biomacromolecules), and the development of analytical methodologies capable of identifying and quantifying biomarkers of exposure to chemical agents. This triggered the development of a unique set of skills, combining a basic background in organic chemistry, toxicology and analytical methodologies, with an emphasis on mass spectrometry and NMR techniques. The motivation for this work is the translation of fundamental chemistry principles to address pivotal challenges in the clinical, forensic, and pharmacology areas. This objective is pursued through the exploration of three distinct research lines: • Molecular mechanisms underlying the toxicity of drugs (Pharmacological and New Psychoactive Active Substances) and environmental pollutants: from the metabolic fate to the formation of covalent adducts with proteins towards the identification of biomarkers of exposure/toxicity • Development of new stratification/diagnosis tools for non-communicable diseases • Medicinal Chemistry: development of anticancer organoselenium derivatives I have been involved in several collaborative works in the domain of Medicinal Chemistry, involving hit to lead optimization based on the metabolic stability of drug candidates for cancer therapy. The international recognition of the high standard of my research work was fully attested by CEFIC-LRI AWARD, one of Europe's largest research grants for early career toxicologists, which she received in 2014. From 2017 to 2023, I was co-founder of a startup company, Clarify Analytical, dedicated at the development of diagnostic methods based on the mass spectrometry technique, which was awarded by an EU-funded project from the H2020 SMEInvestment program. I work as consultant with the scientific police, for the identification of toxic compounds in forensic scenarios, and with a national pharmaceutical company that provides funding for my research. I authored more than 70 peer-reviewed publications and completed the supervision of 5 PhD students and 28 MSc Students.