Skip to main content

Trinity College Dublin, The University of Dublin

Menu Search

Trinity College Dublin By using this website you consent to the use of cookies in accordance with the Trinity cookie policy. For more information on cookies see our cookie policy.

Profile Photo

Professor Isabel Rozas

Professor (Chemistry)

Professor (Trinity Inst. of Neurosciences (TCIN))

Isabel Rozas was born in Madrid (Spain). After completing her BSc (hons) in Chemistry at the Universidad Complutense de Madrid in 1981, and her 'Licenciado de grado' research (similar to a MSc) in 1982, her PhD research was embarked upon at the Instituto de Quimica Medica in the National Council of Research (CSIC) in Madrid, and the degree achieved in 1987 at the Universidad Complutense de Madrid. Thereafter, she worked as a postdoctoral researcher at both the Department of Chemistry of the University of Saskatchewan (Canada) between 1989 and 1990, and the Department of Chemistry of Queen's University in Kingston (Canada) between 1993 and 1994. She worked as a researcher in the Medicinal Chemistry Institute (CSIC) until the year 2000, thereafter joining the School of Chemistry in TCD as a Lecturer. After being promoted to Senior Lecturer, and becoming a Fellow of TCD, she became Associate Professor (later named Professor) in 2011. She has supervised 15 PhD students and 1 MSc, earned approximately €2,500,000 in research income and published 146 peer-reviewed research papers. During 2009-2012 she served as External Examiner in Organic/Medicinal Chemistry at the School of Chemistry in NUI Maynooth and during 2012-2016 in the Department of Chemistry and Pharmaceutical Chemistry (serving the Schools of Pharmacy and Medicine) at the Royal College of Surgeons in Ireland. Additionally, she has held positions as Director of the Medicinal Chemistry Moderatorship, member of the Fellowship Central committee, Head of Organic, Medicinal and Biological Chemistry at the School of Chemistry, Director of Postgraduate Teaching and Learning and Director of Research at the School of Chemistry, Director of Dublin Chemistry postgraduate program, Tutor and served in numerous College committees and selection panels. Moreover, she has served in different scientific committees such as the Irish panel of the ERA-Chemistry panel, the Irish Centre of High-End Computing or the XXIII EFMC-International Symposium in Medicinal Chemistry held in Lisbon in September 2014 and she has organised the first Medicinal Chemistry Ireland conference in 2016.
  Anticancer therapies   Chemistry of drug receptor interactions   Computational Biology   Computational chemistry and modelling   Computer assisted drug design   Depression   Design and synthesis of drugs   Drug development and evaluation   Drug discovery   Genitourinary, prostatic function and disease   Hetrocyclic chemistry   Hydrogen bonding   Malaria   Medicinal Chemistry   Molecular Biology   Neurodegeneration   Organic chemistry   Protein chemistry, structure and folding   Quantum chemistry   Structural Biology, Determination, Function   Synthesis and new molecules   Theoretical chemistry
 Design, synthesis and biological evaluation of new derivatives with affinity and selectivity towards alpha1A-adrenoceptors
 Towards more selective and active ligands of I2-Imidazoline Binding Sites
 New and improved derivatives of PaTrin2 as inhibitors of ATase
 Computational analysis of alpha1B and alpha1D adrenoceptor subtypes and their ligands: towards a selective interaction
 Chiral recognition in hydrogen bonded complexes

Page 1 of 3
Details Date
Member of the DIT Pharmaceutical Advisory Committee 2016-2017
Member of the Science Council of the Irish Centre of High-End Computing (ICHEC) 2011-2014
Member of the Irish panel for the ERA-Chemistry program 2009-2011
Language Skill Reading Skill Writing Skill Speaking
English Fluent Fluent Fluent
French Medium Basic Basic
Spanish Fluent Fluent Fluent
Details Date From Date To
Member of the American Chemical Society 2008 present
Member of the Royal Society of Chemistry 2005 present
World Association of Theoretical and Computational Chemists (WATOC) 1988 present
Spanish Society of Medicinal Chemistry 1987 2013
Ullah, H. and Previtali, V. and Mihigo, H.B. and Twamley, B. and Rauf, M.K. and Javed, F. and Waseem, A. and Baker, R.J. and Rozas, I., Structure-activity relationships of new Organotin(IV) anticancer agents and their cytotoxicity profile on HL-60, MCF-7 and HeLa human cancer cell lines, European Journal of Medicinal Chemistry, 181, (111544), 2019, Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Trujillo, C. and Flood, A. and Sánchez-Sanz, G. and Twamley, B. and Rozas, I., Planarity or Nonplanarity: Modulating Guanidine Derivatives as α2-Adrenoceptors Ligands, Journal of Chemical Information and Modeling, 59, (5), 2019, p2479-2486 , Notes: [cited By 1], Journal Article, PUBLISHED  DOI
Rahman, A. and O'Sullivan, P. and Rozas, I., Recent developments in compounds acting in the DNA minor groove, MedChemComm, 10, (1), 2019, p26-40 , Notes: [cited By 1], Journal Article, PUBLISHED  DOI
Mahmood, K. and Hashmi, W. and Ismail, H. and Mirza, B. and Twamley, B. and Akhter, Z. and Rozas, I. and Baker, R.J., Synthesis, DNA binding and antibacterial activity of metal(II) complexes of a benzimidazole Schiff base, Polyhedron, 157, 2019, p326-334 , Notes: [cited By 5], Journal Article, PUBLISHED  DOI
Previtali, V. and Trujillo, C. and Amet, R. and Zisterer, D.M. and Rozas, I., Effect of isouronium/guanidinium substitution on the efficacy of a series of novel anti-cancer agents, MedChemComm, 9, (4), 2018, p735-743 , Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Trujillo, C. and Goya, P. and Rozas, I., Study of Meldrum's Acid Cyclization Reactions, Journal of Physical Chemistry A, 122, (9), 2018, p2535-2541 , Notes: [cited By 0], Journal Article, PUBLISHED  DOI
I. Rozas, F. Rodriguez Royo, J. Meana & L. Callado, 'Synthesis and neurological applications of 4,4'-di(2-imidazolidinylimino)-1,2-diphenylethane and N-(5,6,7,8-tetrahydro-naphthalen-2-yl)-guanidine derivatives', USA Patent Application, 2018, Patent, SUBMITTED  Other
Synthesis of guanidines and some of their biological applications in, editor(s)Philipp Selig , Topics in Heterocyclic Chemistry: Guanidines as Reagents and Catalysts, Switzerland, Springer, 2017, pp1 - 52, [J. W. Shaw, D. H. Grayson, I. Rozas], Book Chapter, PUBLISHED
Rozas, I., Understanding the Binding of cis and trans Isomers of Combretastatin to Tubulin , Chem, 2, (1), 2017, p15-17 , Journal Article, PUBLISHED  DOI
Trujillo, C. and Rozas, I. and Botte, A. and Connon, S.J., A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride, Chemical Communications, 53, (63), 2017, p8874-8877 , Notes: [cited By 3], Journal Article, PUBLISHED  DOI

Page 1 of 17


Award Date
Fellow of the Trinity College Dublin 2005
Driven by my passion, my research forms the core of my work. Since my arrival in TCD, I have become an international leader in Medicinal Chemistry. My work has been published in highly prestigious international journals and my expert opinion has been sought from several sources, attesting to my expertise in the area. More importantly, my transformational impact and leadership has been acknowledged by publishing in the leading journals, whose citations have grown (e.g. >350 times in 2016). During the last ten years I published 11 articles in the top-journal in my field, the Journal of Medicinal Chemistry. My citations clearly indicate a substantial track-record of sustained achievement. At present, my research is more productive than ever, with new ideas highlighting a continuing trajectory of research excellence and impact. Regarding new research, eight years ago I started working on kinase inhibitors, a highly-promising field attracting most of the world's biggest groups seeking to develop anticancer therapies. This work has already rendered 2 PhD theses, another funded for this year and 3 accepted articles. Further, building on interdisciplinary synergies, I have established a new, exciting collaboration with researchers in UCD (Kolch, applying for Worldwide Cancer Research grant). Throughout my career, more so today, I aim to find new therapies to cure diseases such as cancer, protozoal infections and neurological conditions. I am a dynamic researcher who combines experiment and computation. The multi-faceted nature of my research underlines my novel contributions. Current research: 1-Experimental Medicinal Chemistry involving the design, synthesis and evaluation of Agents acting as α2-adrenoceptors blockers (application in depression). Recently, a connexion between α2C-AR and schizophrenia was established and we are now working in this area; DNA Minor-groove binders. We have prepared many MGBs that strongly bind to DNA with application as anticancer or antiprotozoal agents; Pt-complexes of DNA MGBs. We are bringing the Pt cytotoxicity (such as cisplatin) to DNA using the MGB as a carrier. These complexes could become anticancer therapy; Protein kinases inhibitors (anticancer agents). Considering the similarities of some of our MGBs with kinases inhibitors, different families of compounds as BRAF inhibitors are being prepared; Fluorescent probes to bind Guanine quadruplexes. The role of GQs in human diseases (cancer, ALS) is still being explored and our conjugates will enable these studies. 2-Computational Chemistry; very significant part of my research making my group unique in combining experiment and computation. Modelling BRAF-ATP system to evaluate in silico the selectivity of potential allosteric inhibitors of this kinase; Computational study of weak interactions to understand biological activities or mechanisms of reaction. My emphasis is on producing innovative research disseminated in high-ranking international journals and translated into biologically active compounds. Since becoming Professor, I have published 41 high-ranking international peer-reviewed journal papers (resulting in 146 pieces published, plus 2 submitted). The significance of my research can be judged by conferences (e.g. American Chemical Society-Meetings, EFMC-International Symposium Medicinal Chemistry or Congress of the World Association of Theoretical & Computational Chemists) and journals (e.g. Medicinal Research Reviews, IF: 9.583; Journal of Medicinal Chemistry, IF: 5.614; Chemical Society Reviews, IF: 24.892 or Journal of the American Chemical Society, IF: 10.677) where the results were well-acknowledged. In terms of citations (Web of Science) while the average citation/article in Chemistry is 11.19, the average citation for each of my 146 papers is 29.60. My h-Index is at 30. All these indicators positively compare with international Full-Professors.