Alexandra Antunes, PhD
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  • Contacts
  • Biography
  • Publications
  • Research Interests
  • TEAM & Students Supervision
  • Prizes and Honors
  • Ongoing Projects
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Articles in Refereed International Journals


  1. Lopes RP, Ferro RA, Milhazes M, Figueira M, Caldeira MJ, Antunes AMM*, Gaspar H*, Metabolic stability and metabolite profiling of emerging synthetic cathinones. Front. Pharmacol. 2023, 14:1145140.
  2. Barcherini V, Loureiro JB,  Sena A, Madeira C, Leandro P, Saraiva L, Antunes, AMM,*  Santos MMM*. Metabolism-Guided Optimization of Tryptophanol-Derived Isoindolinone p53 Activators. Pharmaceuticals 2023, 16,146.​
  3. Gouveia-Fernandes S, Rodrigues A, Nunes C, Charneira C, Nunes J, Serpa J, Antunes AMM. Glycidamide and cis-2-butene-1,4-dial (BDA) as potential carcinogens and promoters of liver cancer - An in vitro study. Food Chem Toxicol. 2022, 166,113251
  4. Morais I, Medeiros M, Carvalho M, Morello J, Teixeira SM, Maciel S, Nhantumbo J, Balau A, Rosa MTG, Nogueira F, Rodrigues JA , Carvalho FA, Antunes AMM, Arez AP. Synthetic red blood cell-specific glycolytic intermediate 2,3diphosphoglycerate (2,3-DPG) inhibits Plasmodium falciparum development in vitro. Front. Cell. Infect. Microbiol. 2022
  5. Correia MJ, Pimpão AB, Fernandes DGF, Morello J, Sequeira CO, Calado J, Antunes AMM, Almeida MS, Branco P, Monteiro EC, Vicente JB, Serpa J, Pereira, SA. Cysteine as a Multifaceted Player in Kidney, the Cysteine-Related Thiolome and Its Implications for Precision Medicine. Molecules. 2022, 27, 1416
  6. Fernandes TA, Antunes AMM, Caldeira I, Anjos O, de Freitas V, Fargeton L, Boissier B, Catarino S, Canas S. Identification of gallotannins and ellagitannins in aged wine spirits: A new perspective using alternative ageing technology and high-resolution mass spectrometry. Food Chem. 2022, 382, 132322.
  7. Fernandes DGF, Nunes J, Tomé CS, Zuhra K, Costa JMF, Antunes AMM, Giuffrè A, Vicente JB. Human Cystathionine γ-Lyase Is Inhibited by S-Nitrosation: A New Crosstalk Mechanism between NO and H2S. Antioxidants. 2021, 10, 1391.
  8. Espadinha M, Barcherini V, Gonçalves LM, Molins E, Antunes AMM, Santos MMM*. Tryptophanol-Derived Oxazolopyrrolidone Lactams as Potential Anticancer Agents against Gastric Adenocarcinoma. Pharmaceuticals. 2021, 14, 208. 
  9. Lopes BT, Caldeira MJ, Gaspar H*, Antunes AMM* . Metabolic Profile of Four Selected Cathinones in Microrosome incubations: Identification of Phase I and II metabolites by Liquid Chromatography High Resolution Mass Spectrometry, Front Chem. 2021, 8:609251. 
  10. Harjivan SG, Charneira C, Martins IL, Pereira SA, Espadas G, Sabidó E, Beland FA, Marques MM, Antunes AMM*. Covalent Histone Modification by an Electrophilic Derivative of the Anti-HIV Drug Nevirapine. Molecules. 2021, 26, 1349. https://doi.org/10.3390/molecules26051349​
  11. Marto N, Morllo J, Antunes AMM, Monteiro EC, Pereira SA. A simple method to measure sulfonation in man using paracetamol as probe drug. Sci Rep 2021, 11, 9036.
  12.  Marinho AT, Batuca JR, Miranda JP, Caixas U, Dias CG, Branco T, Soto K, Pinheiro P, Bourbon M, Marques MM, Antunes AM, Monteiro EC, Pereira SA. The 2-hydroxy-nevirapine metabolite as a candidate for boosting apolipoprotein A1 and for modulating anti-HDL antibodies. Pharmacol Res. 2021, 165, 105446. 
  13. Charneira C, Nunes J, Antunes AMM, 16α-Hydroxyestrone: Mass Spectrometry-Based Methodologies for the Identification of Covalent Adducts Formed with Blood Proteins, Chem. Res. Toxicol. 2020, 33, 8, 2147–2156​
  14. Cipriano M, Pinheiro PF, Sequeira CO, Rodrigues JS, Oliveira NG, Antunes AMM Castro M, Marques MM, Pereira SA, Miranda JP. Nevirapine Biotransformation Insights: An Integrated In Vitro Approach Unveils the Biocompetence and Glutathiolomic Profile of a Human Hepatocyte-Like Cell 3D Model. Int J Mol Sci. 2020, 21, 3998. 
  15. Alves CP, Rijo P, Bravo C, Antunes AMM, André V. Bioactivity of Isostructural Hydrogen Bonding Frameworks Built from Pipemidic Acid Metal Complexes. Molecules 2020, 25, 2374.
  16. Quaresma S, André V, Antunes AMM, Vilela SMF, Amariei G, Arenas-Vivo A, Rosal R, Horcajada P, Duarte MT, Novel Antibacterial Azelaic Acid BioMOFs Crystal Growth & Design 2020 20 (1), 370-382.
  17. Santos I, Ramos C, Mendes C, Sequeira CO, Tomé CS, Fernandes DGH, Mota P, Pires RF, Urso D, Hipólito A, Antunes AMM, Vicente JB, Pereira SA, Bonifácio VDB, Nunes SC, Serpa J.Targeting Glutathione and Cystathionine β-Synthase in Ovarian Cancer Treatment by Selenium-Chrysin Polyurea Dendrimer Nanoformulation. Nutrients. 2019, 11,2523
  18. Nunes J, Charneira C, Nunes C, Gouveia-Fernandes S, Serpa J, Morello J*, Antunes AMM*. A Metabolomics-Inspired Strategy for the Identification of Protein Covalent Modifications. Front. Chem., 2019 
  19. de Conti A, Tryndyak V, VonTungeln LS, Churchwell MI, Beland FA, Antunes AMM*, Pogribny IP*. Genotoxic and Epigenotoxic Alterations in the Lung and Liver of Mice Induced by Acrylamide: A 28 Day Drinking Water Study. Chem Res Toxicol. 2019, 26, 869-877.
  20. Marinho AT, Miranda JP, Caixas U, Charneira C, Gonçalves-Dias C,  Marques MM, Monteiro EC, Antunes AMM*,  Pereira SA*. Singularities of nevirapine metabolism: from sex-dependent differences to idiosyncratic toxicity. Drug Metab Rev 2019, 1-31
  21. Nunes J, Charneira C, Morello J, Rodrigues J, Pereira SA, Antunes AMM.* Mass Spectrometry-Based Methodologies for Targeted and Untargeted Identification of ProteinCovalent Adducts (Adductomics): Current Status and Challenges. High Throughput. 2019, 8. pii: E9.
  22. Gonçalves-Dias C, Morello J, Semedo V, Correia MJ, Coelho NR, Monteiro EC, Antunes AMM, Pereira SA*. The mercapturomic profile of health and non-communicable diseases. High Throughput. 2019, 8, pii: E10. 
  23. André V,  Ferreira da Silva AR, Fernandes A, Frade R, Garcia C, Rijo P, Antunes AMM, Rocha J, Duarte MT. Mg- and Mn-MOFs Boost the Antibiotic Activity of Nalidixic Acid. ACS Appl. Bio Mater. 2019, 26, 2347-2354
  24. Soto K*, Campos P, Manso R, Antunes AMM, Morello J, Perazella MA. Severe AKI and double tubulopathy due to dual toxicity caused by combination antiretroviral therapy. Kidney International Reports 2019, 4, 494-499.
  25. Gonçalves-Dias C, Morello J, Correira MJ, Coelho NR, Antunes AMM, Macedo MP, Monteiro EC, Soto K, Pereira SA*. Mercapturate pathway in the tubulocentric perspective of diabetic kidney disease. Nephron 2019, 1-7.
  26. Martins IL, Nunes J, Charneira C, Morello J, Pereira SA, Telo JP, Marques MM, Antunes AMM*. The first-line antiepileptic drug carbamazepine: Reaction with biologically relevant free radicals. Free Radic Biol Med. 2018, 129, 559-568 .
  27.    Godinho ALA, Martins IL, Nunes J, Charneira C, Grilo J, Silva DM, Pereira SA, Soto K, Oliveira MC, Marques MM, Jacob CC, Antunes AMM*. High resolution mass spectrometry-based methodologies for identification of Etravirine bioactivation to reactive metabolites: In vitro and in vivo approaches. Eur J Pharm Sci. 2018 119, 70-82. ​
  28. Pinheiro PF, Pereira SA, Harjivan SG, Martins IL, Marinho AT, Cipriano M, Jacob CC, Oliveira NG, Castro MF, Marques MM, Antunes AMM*, Miranda JP*. Hepatocyte spheroids as a competent in vitro system for drug biotransformation studies: nevirapine as a bioactivation case study. Arch Toxicol. 2017, 91, 1199-1211.
  29. Grilo NM, Correia MJ, Miranda JP, Cipriano M, Serpa J,  Marques MM, Monteiro EC, Antunes AMM, Diogo LN, Pereira SA. Unmasking efavirenz neurotoxicity: Time matters to the underlying mechanisms. Eur J Pharm Sci. 2017, 105, 47-54.
  30. Morgado PI, José S, Wanke R, Antunes AMM, Cardoso AS, Jordão L. Integration of cellular and molecular endpoints to assess the toxicity of polycyclic aromatic hydrocarbons in HEPG2 cell line. Environ. Toxicol. Chem. 2017, 9999, 1-11
  31. Nunes J, Martins IL, Catarina Charneira C, Pogribny IP, de Conti A, Beland FA, Marques MM, Jacob CC, Antunes AMM*, New insights into the molecular mechanisms of chemical carcinogenesis: in vivo adduction of histone H2B by a reactive metabolite of the chemical carcinogen furan, Toxicol Lett, 2016, 264, 106-113
  32. Grilo NM, Correia MJ, Sequeira C, Harjivan SG, Caixas U, Diogo LN, Marques MM, Monteiro EC, Antunes AM, Pereira SA. Efavirenz biotransformation as an up-stream event of mood changes in HIV-infected patients. Toxicol Lett. 2016,260,28-35
  33. Marinho AT, Dias CG, Pinheiro PF, Lemos AR, Antunes AMM, Marques MM, Monteiro EC, Miranda JP, Pereira SA. Nevirapine modulation of paraoxonase-1 in the liver: An in vitro three-model approach. Eur J Pharm Sci. 2016, 82, 147-53. 
  34. Martins ICB,  Sardo M, Santos SM,  Fernandes A,  Antunes AMM,  André V, Mafra L, Duarte MT, Packing interactions and physicochemical properties of novel multicomponent crystal forms of the anti-inflammatory azelaic acid studied by X-ray and solid-state NMR, Cryst. Growth Des., 2016, 16, 154–166.
  35. Harjivan SH, Pinheiro PF, Martins IL, Godinho AL, Wanke R, Santos PP, Pereira SA, Beland FA, Marques MM, Antunes AMM*, Quinoid derivatives of the nevirapine metabolites 2-hydroxy- and 3-hydroxy-nevirapine: activation pathway to amino acid adduct. Toxicology Research, 2015, 4, 1565 - 1577.
  36. Martins IL, Charneira C, Gandin V, Ferreira da Silva JL , Justino GC, Telo  JP, Vieira AJSC, Marzano C, Antunes AMM*, Selenium-containing Chrysin and Quercetin Derivatives: Attractive scaffolds for cancer therapy. J Med Chem, 2015, 58, 4250-4265.
  37.  Pinheiro PF, Marinho AT, Antunes AMM, Marques MM, Pereira SA, Miranda JP. Sex differences in hepatic and intestinal contributions to nevirapine biotransformation in rats. Chem Biol Interact, 2015, 233, 115-121. 
  38. Harjivan SH, Wanke R; Ferreira da Silva JL; Marques MM, Antunes AMM*, The phenolic metabolites of the anti-HIV drug efavirenz: evidence for distinct reactivities upon oxidation with Frémy's salt. Eur J Med Chem, 2014, 74, 7–11.
  39.  Marinho AT, Godinho ALA, Novais DA,  Antunes AMM, Marques MM, Ramos T, G. Dias CG, Emília C. Monteiro EC, Pereira SA, Development and validation of an HPLC-UV method for quantifying nevirapine and its main phase I metabolites in human blood. Anal. Methods, 2014, 6, 1575 – 1580.
  40. Grilo NM, Charneira C, Pereira SA, Monteiro EC, Marques MM, Antunes AMM*, Bioactivation to an aldehyde metabolite – possible role in the onset of toxicity induced by the anti-HIV drug abacavir , Toxicol Lett. 2014, 224, 416 – 423. 
  41.  Dias CG, Batuca JR, Marinho AT, Caixas U, Monteiro EC, Antunes AMM, Pereira SA, Quantification of the arylesterase activity of paraoxonase-1 in human blood. Analytical Methods 2014, 6, 289 – 294. 
  42. Pinto M, Rebola M, Louro H, Antunes AMM, José SS, Rocha M, Silva MJ,  Cardoso AS, Chlorinated Polycyclic Aromatic Hydrocarbons Associated with Drinking Water Disinfection: Synthesis, Formation under Aqueous Chlorination Conditions and Genotoxic Effects, Polycyclic Aromatic Compounds 2014, 34, 356-371.
  43.  Marinho AT, Rodrigues PM, Caixas U, Antunes AMM, Branco T, Shrika GH, Marques MM, Monteiro EC, Pereira, SA*, Differences in nevirapine biotransformation as a factor for its sex-dependent dimorphic profile of adverse drug reactions, J Antimicrob Chemother. 2014, 69, 476-482. 
  44. Moneo A, Justino GC, Carvalho MF, Oliveira MC, Antunes AMM, Bléger D, Hecht S, Telo JP, Electronic Communication in Linear Oligo(azobenzene) Radical Anions. J. Phys. Chem. A, 2013, 117, 14056–14064. 
  45. Wanke R*, Harjivan SG, Pereira SA, Marques MM, Antunes AMM*, The role of competitive binding to human serum albumin on efavirenz-warfarin interaction: a nuclear magnetic resonance study, International Journal of Antimicrobial Agents 2013, 42, 443-444. 
  46. Quaresma S, André V, Antunes AMM, Cunha-Silva L, Duarte MT, Gabapentin Coordination Networks: Mechanochemical Synthesis and Behavior under Shelf Conditions, Crystal Growth and Design 2013, 13, 5007–5017.
  47. Grilo NM, Antunes AMM*, Caixas U, Marinho AT, Charneira C, Oliveira MC, Marques MM, Pereira SA, Monitoring abacavir bioactivation in humans: screening for an aldehyde metabolite. Toxicology Letters 2013 219, 59-64.
  48. dos Santos EA, Hamel E, Bai R, Burnett J,  Santos CC, Tozatti S, Bogo D, Perdomo RT, Antunes AMM, Marques MM, Matos MFC, de Lima DP*, Synthesis and evaluation of diaryl sulfides and diaryl selenide compounds for antitubulin and cytotoxic activity, Bioorganic & Medicinal Chemistry Letters 2013 15. 23, 4669-4673.
  49. Antunes AMM*, Wolf B, Oliveira MC, Beland FA, Marques MM*, 2'-Deoxythymidine Adducts from the Anti-HIV Drug Nevirapine. Molecules 2013,18, 4955-4971.
  50. Martins IL, Miranda JP, Oliveira NG, Fernandes AS, Gonçalves S, Antunes AMM*, Synthesis and biological activity of 6-selenocaffeine: potential modulator of chemotherapeutic drugs in breast cancer cells. Molecules 2013, 18, 5251-5264.
  51. Charneira C, Grilo NM, Pereira SA, Godinho ALA, Monteiro EC, Marques MM, Antunes AMM*. N-terminal valine adduct from the anti-HIV drug abacavir in rat hemoglobin as evidence for abacavir metabolism to a reactive aldehyde in vivo, British Journal of Pharmacology 2012, 167, 1353-1361. 
  52.  Caixas U, Antunes AMM*, Marinho AT, Godinho AL, Grilo NM, Marques MM, Oliveira MC, Branco T, Monteiro EC, Pereira SA*. Evidence for nevirapine bioactivation in man: searching for the first step in the mechanism of nevirapine toxicity, Toxicology 2012, 301, 33-39. 
  53. Wanke R, Novais DA, Harjivan SG, Marques MM, Antunes AMM*, Biomimetic oxidation of aromatic xenobiotics: synthesis of the phenolic metabolites from the anti-HIV drug Efavirenz, Organic & Biomolecular Chemistry, 2012, 10, 4554-4561. Classified as “Hot Paper” and highlighted at OBC blog 
  54. Antunes AMM*, Sidarus M, Novais DA, Harjivan SG, Santos PP, Ferreira da Silva, JL, Beland FA, Marques MM, Oxidation of 2-Hydroxynevirapine, a Phenolic Metabolite of the Anti-HIV Drug Nevirapine: Evidence for an Unusual Pyridine Ring Contraction, Molecules, 2012, 17, 2616-2627. 
  55. Charneira C, Godinho ALA, Oliveira MC, Pereira SA, Monteiro EC, Marques MM, Antunes AMM*, Reactive Aldehyde Metabolites from the Anti-HIV Drug Abacavir: Amino Acid Adducts as Possible Factors in Abacavir Toxicity, Chemical Research in Toxicology, 2011, 24, 2129-2141.
  56. Antunes AMM*, Novais DA, Ferreira da Silva JL, Santos PP, Oliveira MC, Beland FA, Marques MM, Synthesis and oxidation of 2-hydroxynevirapine, a metabolite of the HIV reverse transcriptase inhibitor nevirapine, Organic & Biomolecular Chemistry, 2011, 9, 7822-7835.
  57. Antunes AMM*, Godinho ALA, Martins IL, Oliveira MC, Gomes RA, Coelho AV, Beland FA, Marques MM, Protein adducts as prospective biomarkers of nevirapine toxicity, Chemical Research in Toxicology, 2010, 23 ,1714–1725 – Highlighted in "In This Issue" section of the CRT.
  58. Antunes AMM*, Godinho ALA, Martins IL, Justino GC, Beland FA, Marques MM, Amino acid adduct formation by the nevirapine metabolite, 12-hydroxynevirapine – a possible factor in nevirapine toxicity, Chemical Research in Toxicology, 2010, 23, 888–899.
  59. Santos PMP, Antunes AMM, Noronha J, Fernandes E, Vieira AJSC, Scavenging Activity of Aminoantipyrines against Hydroxyl Radical, European Journal of Medicinal Chemistry, 2010, 45, 2258–2264.
  60. Antunes AMM*, Duarte MP, Santos  PP,  Gamboa da Costa G, Heinz TM, Beland FA, Marques MM, Synthesis and Characterization of DNA Adducts from the HIV Reverse Transcriptase Inhibitor Nevirapine, Chemical Research in Toxicology, 2008, 21, 1443–1456.
  61. Brás AR, Noronha  JP, Antunes AMM, Cardoso M., Scho¨nhals A, Affouard  F, Dionisio  M, Correia NT, Molecular motions in Amorphous Ibuprofen as Studied by Broadband Dielectric Spectroscopy, Journal of Physical Chemistry B, 2008, 112, 11087–11099. 
  62.  Fonseca C, Neves AR, Antunes AMM, Noronha JP, Hahn-Hägerdal B, Santos H, Spencer-Martins I, Use of In Vivo 13C Nuclear Magnetic Resonance Spectroscopy To Elucidate L-Arabinose Metabolism in Yeasts, Applied and Environmental Microbiology, 2008, 74(6), 1845-1855.
  63. Antunes AMM, Bonifácio VDB, Nascimento SCC, Lobo AM, Branco PS, Prabhakar S, Palladium(II) mediated aziridination of olefins with bromamine-T as the nitrogen source: scope and mechanism, Tetrahedron, 2007, 63, 7009-7017. Highlighted in Chem Inform (http://onlinelibrary.wiley.com/doi/10.1002/chin.200744094/full).
  64. Li L, Chiarelli MPl, Branco PS, Antunes AM, Marques MM, Gonçalves LL, Beland FA, Differentiation of isomeric C8-substituted alkylaniline adducts of guanine by electrospray ionization and tandem quadropole ion trap mass spectrometry, Journal of the American Society for Mass Spectrometry, 2003, 14, 1488-1492. 
  65. Antunes AMM, Branco PS, Lobo AM, Prabhakar S, Palladium (II)-promoted aziridination of olefins with bromoamine T as the nitrogen transfer agent, Chemical Communications, 2001, 405-406. Highlighted in Chem Inform .
  66. Branco PS, Antunes AMM, Marques MM, Chiarelli MP, Lobo AM, Prabhakar S, New syntheses of DNA adducts from methylated anilines present in tobacco smoke, Chemical Research in Toxicology, 1999, 12 (10), 1223-1233. 
  67. Chiarelli MP, Wu HP, Branco PS, Antunes AM, Product Ion Studies of Some Novel Arylamine Adducts of Deoxyguanosine by Matrix-assisted Laser Desorption/Ionization and Post-source Decay, Rapid Communications in Mass Spectrometry, 1999, 13, 2004-2010. 
  68. Chiarelli MP, Wu HP, Branco PS, Antunes AM, Post-Source decay product ion studies of anilines and methylated aniline adducts of deoxyguanosine, Analytica Chimica Acta, 1999, 397, 257-265.
  69. Antunes AM, Fonseca TF, Santos SMBP, Isonothoapiol: A New Phenylterpenoid from Ammi Huntii, Natural Products Letters, 1997, 11, 77-80. IF: 1.0 (currently Natural Product Research) 
  70. Antunes AM, Santos SP, Palma FMSB, Isomyrysticine: 1H and 13C-NMR assignments, Fitoterapia, 1995, LXVI(6), 554. 
*, corresponding author. 

Book Chapters

  1. S.A. Pereira, M.M. Marques, U. Caixas, E.C. Monteiro, F.A. Beland, A.M.M. Antunes, Understanding the Molecular Basis for the Hazards Associated with Nevirapine Treatment, in: L.V. Berhardt (Ed.), Advances in Medicine and Biology, Vol. 44, NovaPublisher, 2012.
  2. S.A. Pereira, R. Wanke, M.M. Marques, E.C. Monteiro,, A.M.M. Antunes*, Insights into the Role of Bioactivation Mechanisms in the Toxic Events Elicited by Non-nucleoside Reverse Transcriptase Inhibitors. In James C. Fishbein, editors: Advances in Molecular Toxicology, 6, AMT, Chennai: Elsevier, 2012, pp. 1-40.
  3.  Felix S, Sousa ACC, C.C. Jacob CC, Antunes AMM, Chapter 2. Chemical Disinfectants: Toxicology and Health in: AS Cardoso, CMM Almeida, TC Cordeiro, and VJ Gaffney (Ed.), Disinfectants: Properties, Applications and Effectiveness, Bacteriology Research Developments, The Encyclopedia of Bacteriology Research Developments, Vol 11, Pages 2397 – 2422, NovaPublishers Inc., 2021 (ISBN: 978-153619316-9, 978-153619240-7)
  4. Gonçalves-Dias C. et al. (2021) A Mechanistic-Based and Non-invasive Approach to Quantify the Capability of Kidney to Detoxify Cysteine-Disulfides. In: Baptista Carreira dos Santos H.M. (eds) Translational Urinomics. Advances in Experimental Medicine and Biology, vol 1306. Springer, Cham.






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