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After working for 14 years as a researcher at the Medicinal Chemistry Institute (CSIC, Spain), she moved in 2000 to the School of Chemistry at Trinity College Dublin as a Lecturer in Medicinal Chemistry. In 2003, she became director of the Medicinal Chemistry course; in 2005, was elected Fellow of Trinity College Dublin; in 2006, she became Senior Lecturer, and in 2007 was elected by her colleagues as Head of Organic, Medicinal and Biological Chemistry, position that she held during three years. In 2010, she became Professor. During the years 2011-2014 she was Director of Postgraduate Teaching and Learning at the School of Chemistry and in 2015-2016 she was Director of Research of the School of Chemistry.

Her main area of research is framed within the Medicinal Chemistry field, and thus her group works in the modelling, preparation and biophysical and biological evaluation of: (i) agents targeting nucleic acids (as anticancer or antiprotozoal therapies); (ii) guanidine-based inhibitors of protein kinases; and (iii) compounds targeting adrenergic alpha2- or specifically alpha2C-receptors with application as antidepressants or antipsychotic agents. In addition, she has an interest in the theoretical study of weak interactions such as hydrogen bonds. She has published over 145 papers and collaborates with several groups in Ireland, Spain, UK, India, Canada and USA.