???global.info.a_carregar???
Identification

Personal identification

Full name
Andreia Jesus Lopes Fortuna

Citation names

  • Fortuna, Andreia

Author identifiers

Ciência ID
811E-33C0-ADB9
ORCID iD
0000-0001-9692-3245

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Education
Degree Classification
2020/04/01 - 2024/12/18
Concluded
 Doutoramento em Química (Doutoramento)
Universidade de Lisboa Faculdade de Ciências, Portugal

Universidade de Lisboa Faculdade de Farmácia, Portugal
"Tackling solvation and permeability using computational methods: the role of noncovalent interactions" (THESIS/DISSERTATION)
 Aprovado com Distinção e Louvor
2016/09 - 2018/10
Concluded
 Química (Mestrado)
Universidade de Lisboa Faculdade de Ciências, Portugal
"Synthesis and rational design of new nucleoside and nucleotide analogues as potential kinase inhibitors with biological interest" (THESIS/DISSERTATION)
 18
2012/09 - 2016/06
Concluded
 Química (Licenciatura)
Universidade de Lisboa Faculdade de Ciências, Portugal
"Síntese de Glicosilsulfonamidas com potencial perfil biológico" (THESIS/DISSERTATION)
 14
Projects

Grant

Designation Funders
2024/01 - Current TAMUK - TArgeting MUtated KRAS
TAMUK
team member
Fundação da Faculdade de Ciências da Universidade de Lisboa

FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências
Ongoing
2019/12/07 - 2020/03/31 BlindspotsXBapps - Uncovering blind spots in halogen bonding applications
PTDC/QUI-QFI/28455/2017-LISBOA-01-0145-FEDER-028455
Researcher
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências
Concluded
2019/03/06 - 2019/05/06 Abordagem bio orgânica na valorização de águas residuais da indústria alimentar - Caso da lupanina
WaterJPI_0001_2014
Researcher
Fundação para a Ciência e a Tecnologia
Ongoing

Contract

Designation Funders
2024/10 - Current Expanding the “toolbox” of medicinal chemists: the role of halogen bonds in membrane permeability
2023.10475.CPCA.A2
team member
Ongoing
2018/07/01 - 2021/12/31 Uncovering blind spots in halogen bonding applications
PTDC/QUI-QFI/28455/2017
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2019/01/01 - 2019/12/31 Centro de Química e Bioquímica
UID/Multi/00612/2019
FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
Outputs

Publications

Book
  1. Fortuna, Andreia; Tomás Silva ; I.O. Feliciano; João Machado; Vanessa Morgado. Book of Abstracts 2nd Chem & Biochem Students Meeting. Portugal. 2022.
    Published
Book chapter
  1. Fortuna, Andreia; Xavier, Nuno M.. "Recent developments in synthetic methods for sugar phosphate analogs". In Recent Trends in Carbohydrate Chemistry, 301-329. Elsevier, 2020.
    10.1016/b978-0-12-817467-8.00008-6
Book review
  1. Fortuna, Andreia; Nuno M. Xavier. "Synthesis and Biological Properties of d-Glucuronamide-Containing Compounds". Review of Reference Module in Chemistry, Molecular Sciences and Chemical Engineering (2019): 1-11. https://doi.org/10.1016/B978-0-12-409547-2.11098-4.
    Published
Conference poster
  1. Xavier, Nuno M.; Moreira, Tânia; Fortuna, Andreia; Nunes, Rafael; Gonçalves-Pereira, Rita; Frias, Maria João; Filipe, Sérgio; Jorda, Radek. "Synthesis of potentially bioactive triazole-containing nucleoside, sugar diphosphate and nucleotide analogs". Paper presented in 14th Nacional Organic Chemistry Meeting & 7th Nacional Therapeutic Chemistry Meeting, Caparica, Portugal, 2022.
Journal article
  1. J. P. Pais; Olha Antoniuk; Pires D; Tiago Delgado; Andreia Fortuna; Paulo J. Costa; Anes, E; Luis Constantino. "Synthesis, Activity, Toxicity, and In Silico Studies of New Antimycobacterial N-Alkyl Nitrobenzamides". Pharmaceuticals (2024): http://dx.doi.org/10.3390/ph17050608.
    10.3390/ph17050608
  2. Andreia Fortuna; Pedro Suzano; Miguel Machuqueiro; Paulo J. Costa. "Influence of Iodine Merz–Singh–Kollman Radius on the Calculated Charges and Hydration Free Energies of Iodinated Molecules". Journal of Computational Biophysics and Chemistry (2024): http://dx.doi.org/10.1142/s2737416523500722.
    10.1142/s2737416523500722
  3. Andreia Fortuna; Paulo J. Costa. "Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations". Journal of Chemical Information and Modeling (2023): http://dx.doi.org/10.1021/acs.jcim.3c01561.
    10.1021/acs.jcim.3c01561
  4. Andreia Fortuna; Rita Gonçalves-Pereira; Paulo J. Costa; Radek Jorda; Veronika Vojácková; Gabriel Gonzalez; Niels Heise; et al. "Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose Derivatives**". ChemMedChem 17 14 (2022): http://dx.doi.org/10.1002/cmdc.202200180.
    10.1002/cmdc.202200180
  5. Fortuna, Andreia; Costa, Paulo J.. "Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point Charges". Journal of Chemical Information and Modeling 61 7 (2021): 3361-3375. http://dx.doi.org/10.1021/acs.jcim.1c00177.
    10.1021/acs.jcim.1c00177
  6. Fortuna, Andreia; Costa, Paulo J.; Piedade, M. Fátima M.; Conceição Oliveira, M.; Xavier, Nuno M.. "Synthesis of Triazole-Containing Furanosyl Nucleoside Analogues and Their Phosphate, Phosphoramidate or Phoshonate Derivatives as Potential Sugar Diphosphate or Nucleotide Mimetics". ChemPlusChem 85 8 (2020): 1676-1691. http://dx.doi.org/10.1002/cplu.202000424.
    10.1002/cplu.202000424
Preprint
  1. Fortuna, Andreia; Costa, Paulo J.. Corresponding author: Costa, Paulo J.. "Impact of the halogen PB radii in the estimation of protein-ligand binding energies using MM-PBSA calculations". 2024. https://doi.org/10.26434/chemrxiv-2024-l32nf.
    10.26434/chemrxiv-2024-l32nf
Thesis / Dissertation
  1. Fortuna, Andreia Jesus Lopes. "Síntese e design racional de novos análogos de nucleósidos e de nucleótidos como potenciais inibidores de cinases com interesse terapêutico". Master, 2018. http://hdl.handle.net/10451/35262.
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2024/07/17 Halogen anisotropy in solvation and membrane permeability: implications for protein-ligand binding and drug efficiency 16th National Physical Chemistry Meeting and 5th Computational Chemistry Symposium.
Faculty of Sciences, University of Lisbon (Lisboa, Portugal)
2023/12/18 Binding free energies using MM-PBSA calculations: an assessment using halogenated ligands 3D-BIOINFO-PT Annual Meeting
Faculty of Sciences and Technology, University of Coimbra (Coimbra, Portugal)
2023/07/13 Describing halogen anisotropy in solvation, membrane permeability, and protein-ligand systems: towards better drugs 3rd Chem&Biochem Students Meeting
Faculty of Sciences, University of Lisbon (Lisboa, Portugal)
2023/07/12 Validation of force field parameters to tackle halogen anisotropy using alchemical free energy calculations 9th Annual CCPBioSim Conference: Biomolecular Simulations for a Better World
University of Leeds (United Kingdom)
2022/12/01 Tackling halogen anisotropy in biomolecular simulations: assessment of force field parameters using hydration free energies 1st Annual 3D-BioInfo-PT Meeting
ITQB NOVA (Oeiras, Portugal)
2022/02/23 Optimization of halogen radii and its impact in the prediction of hydration free energies using PBSA calculations Virtual Winter School on Computational Chemistry
2018/07/14 Synthesis of new types of potentially bioactive furanosyl nucleoside and nucleotide analogues 29th International Carbohydrate Symposium
Universidade de Lisboa (Lisboa, Portugal)
2016/09/30 NMR as essential tool for structural investigation of novel potentially bioactive N-Glycosylsulfonamides: conformational preferences, exo-anomeric effect and furanose/pyranose isomerization
(Lisboa, Portugal)
2016/07 Synthesis of N-glycosyl compounds of D-glucuronamide derivatives as nucleoside analogs or as prospective mimics of glycosyl phosphates or nucleotides International Carbohydrate Symposium (ICS)
(New Orleans, United States)
2015/09/07 Synthesis, conformational studies and biological evaluation of new N-glycosylsulfonamides 11th International Meeting of the Portuguese Carbohydrate Group and 6th Iberian Carbohydrate Meeting
(Viseu, Portugal)

Event organisation

Event name
Type of event (Role) 		Institution / Organization
2018/07 - 2018/07 Member of the local organizing committee of the 29th International Carbohydrate Symposium (2018/07 - 2018/07)
Symposium (Member of the Organising Committee)
 Universidade de Lisboa, Portugal
2015/07 - 2015/07 Member of the local organizing committee for the 19th European Symposium of Organic Chemistry (2015/07 - 2015/07)
Symposium (Member of the Organising Committee)
 Universidade de Lisboa, Portugal

Event participation

Activity description
Type of event 		Event name
Institution / Organization
2024/04/12 - Current Lecturer at the 3D-BioInfo-PT Advanced Workshop. Topic: Alchemical free energy perturbation
Workshop
 3D-BioInfo-PT Advanced Workshop
Universidade de Lisboa Faculdade de Ciências, Portugal
2024/07/27 - 2024/07/27 Poster Presentation: “Exploring Halogen Anisotropy: Impact on Membrane Permeability of Halogenated Drugs”. Andreia Fortuna, Paulo J. Costa. 27th of June, 2024.
Conference
 4th Chem & Biochem Students Meeting
Universidade de Lisboa Faculdade de Ciências, Portugal
2024/04/09 - 2024/04/10 Poster Presentation: “Membrane permeability of halogenated drugs: the impact of halogen anisotropy”. Andreia Fortuna, Paulo J. Costa.
Conference
 Biophysics Festival
Universidade da Beira Interior, Portugal
2021/12/20 - 2021/12/20 Poster Presentation: “Impact of halogen radii in the prediction of hydration free energies using PBSA calculations.” Andreia Fortuna, Paulo J. Costa. https://doi.org/10.3390/mol2net-07-12149
Congress
 VIII EJIBCE (Encontro de Jovens Investigadores de Biologia Computacional Estrutural)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal

Association member

Society Organization name Role
2016 - 2018 Universidade de Lisboa, Faculdade de Ciências Collaborator member of Center of Chemistry and Biochemistry

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2015/02 - 2015/06 Tutor of the Organic Chemistry Course I of the Chemistry and Chemistry-Technological Degree courses (1º year/2º semester) Organic Chemistry Course I (Bacharelato) Universidade de Lisboa Faculdade de Ciências, Portugal
Distinctions

Other distinction

2024 Honourable mention for an oral presentation in the category early-career researchers at the 6th International Symposium on Halogen Bonding
2024 International Union of Crystallography bursary to attend the 6th International Symposium on Halogen Bonding