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Professor Isabel Rozas

Professor (Chemistry)
Professor (Trinity Inst. of Neurosciences (TCIN))
BIOMEDICAL SCIENCES INSTITUTE
      
Profile Photo

Professor Isabel Rozas

Professor (Chemistry)
BIOMEDICAL SCIENCES INSTITUTE

 rozasi@tcd.ie

 3531896 3731

Professor (Trinity Inst. of Neurosciences (TCIN))


Isabel Rozas was born in Madrid (Spain). After completing her BSc (honours) in Chemistry at the Universidad Complutense de Madrid in 1981, and her "Licenciado de grado" degree (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 (2005), she became Associate Professor (later named Professor in) in 2011. She has supervised 20 PhD students and 5 MSc, earned approximately 2,500,000 EUR in research income and published 173 peer-reviewed research outcomes. 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, Director of Research and Director of Global Relationships 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 section of the ERA-Chemistry panel, the Irish Centre of High-End Computing, the XXIII EFMC-International Symposium in Medicinal Chemistry (Lisbon, September 2014), the 12th WATOC Theoretical Chemistry conference (Vancouver, July 2022) and the 9th EuChemS conference (Dublin, July 2024). Additionally, she has organised the first Medicinal Chemistry Ireland conference in 2016 (TCD, Dublin) and co-organised the second and third editions (DCU-2018, NUI-Galway-2022); besides, she has driven the foundation of the Division of Medicinal and Biological Chemistry within the Institute of Chemistry of Ireland (ICI) -for which she is the Chairperson- and its adherence to the European Federation of Medicinal Chemistry and Chemical Biology (EFMC) in 2022. Between 2019 and 2022 she was an Editor of the journal Bioorganic and Medicinal Chemistry Letters (Elsevier) and now she is the Editor of Special Issues for the Results in Chemistry journal (Elsevier).
  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
Project Title
 Towards an antiviral drug to treat Covid-19 infections
From
01/11/2021
To
31/10/2024
Summary
The COVID-19 pandemic caused by the SARS-CoV-2 virus has affected both healthcare systems and global economy. While our understanding of coronaviruses has increased and several clinical-trials started, there is still no effective treatment. SARS-CoV-2 vaccines are currently being developed, but this solution requires time and, even when vaccines become available, part of the population suffering immunocompromised conditions will not benefit from them. Clinical studies of repurposing drugs such as the virus-entry inhibitors camostat and nafamostat, are promising. Based on the structures of these drugs, we propose to develop improved antivirals that will stop the entrance of SARS-CoV-2 into lung cells.
Funding Agency
SFI
Programme
Frontiers for the Future
Project Type
Project
Person Months
48
Project Title
 Blocking SARS-CoV-2 infection by inhibiting the TMPRSS2 protease
From
1 July 2020
To
31 December 2020
Summary
SARS-CoV-2 depends on a host enzyme, the protease TMPRSS2, for activation of its spike protein and for viral entry into lung cells. We propose a series of compounds from our own in-house library that are structurally related to camostat (known inhibitor of TMPRSS2) to optimally inhibit TMPRSS2.
Funding Agency
SFI/EI/IDA
Programme
SFI COVID-19 Rapid Response Funding Call
Project Type
Research
Person Months
6
Project Title
 Fluorescent probes to target nucleic acids
From
01, September 2018
To
31 August 2022
Summary
DNA is present in human cells not only as the known double helix, but also as unusual structures named G-quadruplexes. The last decade has shown that G-quadruplexes play a role in different diseases. In particular, it has been found that compounds that stabilise certain G-quadruplexes can selectively stop cancer cells' growth and this has opened-up exciting perspectives towards new anticancer treatments. Still much work needs to be done to better understand the role of G-quadruplexes in the biological processes of these diseases and there are not enough chemical tools that bind to these systems, stabilise them and can help to detected them. This proposal thus aims to prepare compounds that selectively bind to G-quadruplexes, stabilised them and emit a signal (fluorescence) that can be detected. The general structure of G-quadruplexes exhibits a top plateau and a side groove where small molecules can bind. The compounds that we propose to prepare will consists of two parts: a fragment that is known to bind to the groove of DNA and that we expect to bind to the side groove of the Gquadruplexes and another fragment that is known to bind to the plateau of G-quadruplexes and is fluorescent what will allow to 'see' the binding of these systems within the cells. Thus, with the help of computers we will design these new derivatives studying how well they bind to different structures of G-quadruplexes as well as to DNA. Then, we will prepare in the laboratory the most promising compounds according to the computational study. Next, we will assess whether these compounds bind to DNA or to G-quadruplexes and we will analyse how they enter in the cells. GOIPG/2018/2336
Funding Agency
Irish Research Council
Programme
Postgraduate scholarships
Project Type
Postgraduate scholarship
Person Months
1
Project Title
 Amidine-like derivatives targeting the Ras/Raf/MEK/ERK pathway
From
01/10/2017
To
30/09/2021
Summary
Amidine-like derivatives targeting the Ras/Raf/MEK/ERK pathway GOIPG/2017/834
Funding Agency
Irish Research Council
Programme
Postgraduate scholarships
Project Type
Postgraduate scholarships
Person Months
48
Project Title
 Derivatives of guanidine-based DNA minor groove binders as antiprotozoal agents
From
01/10/2017
To
30/09/2021
Summary
Derivatives of guanidine-based DNA minor groove binders as antiprotozoal agents GOIPG/2017/956
Funding Agency
Irish Research Council
Programme
Postgraduate scholarships
Project Type
Postgraduate scholarships
Person Months
48

Page 1 of 6
Details Date
Evaluator for the ERC Young researchers grant 2023-2024
Member of the Council of the European Federation of Medicinal Chemistry and Chemical Biology (EFMC) representing Ireland 2022
Editor of the Elsevier journal "Bioorganic and Medicinal Chemistry Letters" 2019-2022
Editor of Special Issues for the journal "Results in Chemistry" 2024
Member of the selection panel for the FWO (Belgium) 2017-2019
Member of the Science Council of the Irish Centre of High-End Computing (ICHEC) 2011-present
Member of the Irish panel for the ERA-Chemistry (EU calls) program 2009-2011
Member of the Molecular Medicine panel for the Health Research Board 2005-2008
External examiner in Organic/Medicinal Chemistry for the BSc-Chemistry & BSc-Pharmaceutical/Biomedical-Chemistry programs, School of Chemistry, NUI-Maynooth, Ireland 2009-2012
External examiner in Organic/Medicinal Chemistry for the Pharmacy degree and Chemistry modules of the Foundation-Year (Medicine & Physiotherapy degrees), Department of Pharmaceutical/Medicinal Chemistry, Royal College of Surgeons Ireland, Ireland 2012-2016
Project evaluator for funding agencies: National Science Foundation (USA), Association for International Cancer Research (UK), Wellcome Trust (UK). 2011-present
Reviewer for top-ranked international journals including: Journal of the American Chemical Society, Journal of Medicinal Chemistry, Journal of Physical Chemistry, ChemMedChem, Organic & Biomolecular Chemistry, European Journal of Medicinal Chemistry, New Journal of Chemistry, Physical Chemistry Chemical Physics. 2000-present
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
Founder, Chair-person and Member of the Medicinal and Biological Chemistry Division within the Institute of Chemistry of Ireland 2015 present
Member of the Council of the European Federation of Medicinal Chemistry and Chemical Biology (EFMC) representing Ireland. 2022 present
Spanish Society of Medicinal Chemistry 1987 2013
M. Minneci, M. Misevicius, I. Rozas, Searching for "Greener" Bioequivalents of CF3 to Lower its Environmental Impact, Chemistry a European Journal, 2024, pe202401954-, Notes: [DOI 10.1002/chem.202401954], Journal Article, PUBLISHED  TARA - Full Text  DOI
Garcia M.R., Iribarren I., Rozas I., Trujillo C., Simultaneous Hydrogen Bonds with Different Binding Modes: The Acceptor "Rules" but the Donor "Chooses", Chemistry - A European Journal, 29, (21), 2023, Journal Article, PUBLISHED  DOI
Minneci M., Misevicius M., Rozas I., Green synthesis of nitroaryl thioureas: Towards an improved preparation of guanidinium DNA binders, Bioorganic and Medicinal Chemistry Letters, 90, 2023, Journal Article, PUBLISHED  DOI
Farkas B., Minneci M., Misevicius M., Rozas I., A Tale of Two Proteases: MPro and TMPRSS2 as Targets for COVID-19 Therapies, Pharmaceuticals, 16, (6), 2023, Journal Article, PUBLISHED  DOI
Beirne D.F., Farkas B., Donati C., Gandin V., Rozas I., Velasco-Torrijos T., Montagner D., Novel design of dual-action Pt(iv) anticancer pro-drugs based on cisplatin and derivatives of the tyrosine kinase inhibitors imatinib and nilotinib, Dalton Transactions, 52, (39), 2023, p14110 - 14122, p14110-14122 , Journal Article, PUBLISHED  DOI
Raj Chari, Isabel Rozas, Virus, Antivirals and Vaccines: Why Politics Matter, First, Berlin/Boston, DeGruyter, 2022, 144pp, Book, PUBLISHED  URL  URL
Rebecca Amet, Viola Previtali, Helene B. Mihigo, Emily Sheridan, Sarah Brophy , Nadhim Kamil Hante, Maria Jose Santos-Martinez, Patrick J. Hayden, Paul V. Browne, Isabel Rozas, Anthony M. McElligott , Daniela M. Zisterer , A novel aryl-guanidinium derivative, VP79s, targets the signal transducer and activator of transcription 3 signaling pathway, downregulates myeloid cell leukaemia-1 and exhibits preclinical activity against multiple myeloma , Life Sciences, 290, 2022, Journal Article, PUBLISHED  TARA - Full Text  DOI
Aggarwal R., Hooda M., Jain N., Sanz D., Claramunt R.M., Twamley B., Rozas I., An efficient, one-pot, regioselective synthesis of 2-aryl/hetaryl-4-methyl-5-acylthiazoles under solvent-free conditions, Journal of Sulfur Chemistry, 43, 2022, p12 - 21, Journal Article, PUBLISHED  DOI
M.C. Costas-Lago, N. Vila, A. Rahman, P. Besada, I. Rozas, J. Brea, M. Loza, E. González-Romero, C. Terán, Novel pyridazin-3(2H)-one-based guanidine derivatives as potential DNA minor groove binders with anticancer activity, ACS Medicinal Chemistry Letters, 13, 2022, p463 - 469, Journal Article, PUBLISHED  DOI
F. Prencipe, A. Alsibaee, Z. Khaddem, P. Norton, A.M. Towell, A.F.M. Ali, G. Reid, O.M. Fleury, T.J. Foster, J.A. Geoghegan, I. Rozas, M.P. Brennan, Allantodapsone is a pan-inhibitor of Staphylococcus aureus adhesion to fibrinogen, loricrin and cytokeratin 10, Microbiology Spectrum, 10, 2022, pe0117521-, Journal Article, PUBLISHED  DOI
  

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Award Date
Fellow of Trinity College Dublin 2005
I am a leading Medicinal Chemist aiming to find new therapies to cure human diseases. My expert opinion and innovating research on compounds binding to the DNA minor-groove and guanidinium derivatives is internationally recognized, with my research's impact being reflected in increasing citations (>9000, Google-Scholar). This high number of citations clearly indicates the greater influence of my work on the Medicinal Chemistry community, showing a track-record of continued and sustained excellence. My research is now more productive than ever, highlighting a continuing trajectory of research impact. In the drug discovery process, there are different phases: 1) selection of a target relevant to the disease of interest (e.g. enzyme, receptor, oligonucleotide); 2) discovery of a 'hit' which is a compound that engages with the aimed target, i.e. shows the bioactivity sought; 3) optimization of the 'hit' to a 'lead' by improving its bioactivity and decreasing its toxicity in cells and animals; and 4) only when the 'lead' compound shows optimal bioactivity and minimum toxicity, it can undergo human clinical trials. My research focusses in the first three phases involving medicinal and computational chemistry along with collaborations with biochemists, microbiologists and/or pharmacologists depending on the bioactivity aimed. I combine experimental and computational work making my group unique in its multidisciplinary nature, working along excellent biochemistry, microbiology and pharmacology collaborators. The multi-faceted approach of my research underlines different novel contributions both in Computational Chemistry (modelling drug-target engagement, studying non-covalent interactions established in drug-target complexes) and Experimental Medicinal Chemistry (design, synthesis, and biological evaluation of compounds binding to alpha2-adrenoceptors or to DNA minor-groove, or compounds inhibiting protein kinases involved in multiple myeloma, InhA enzyme related to tuberculosis or TMPRSS2 protease involved in virus entry to human cells in Covid19). Despite the diversity of bioactivities aimed in these projects, all compounds developed are structurally connected since they all contain a particular chemical functionality, the guanidinium group. I am considered an expert in the chemistry of guanidinium derivatives. The most important research achievements are: -Contributing to a new IUPAC definition of Hydrogen-Bond interactions, which are key to drug-target complexes. -Patent applications (USA) for alpha2-adrenoceptors antagonists as antidepressants. -Hundreds of DNA minor-groove binders as 'lead' potential therapies for neuroblastoma or breast cancer, or as potential treatments for malaria and Chagas-disease helping to understand the relevance of this target in those conditions. I am internationally recognized as an expert in DNA minor-groove binders. -Two new 'lead' compounds showing excellent anti-tuberculosis activity. -Major SFI-funding to prepare compounds to stop the entrance of the SARS-CoV-2 virus into lung cells. My emphasis is on producing innovative research to be translated into biologically active 'lead' compounds. Since becoming Professor-In, I have published 69 international peer-reviewed publications (173 in total). The significance of my research can be judged by the quality of the journals where I publish and international recognition. Thus, while the average citation-per-article in Medicinal-Chemistry is 29.15 (WoS), the average citation for each of my 173 publications is 44.75. All these indicators positively compare with international Full-Professors/Chairs in the field.