Education

• Ph.D. in Theoretical and Computational Chemistry (2008-2011)
  Universitat Autònoma de Barcelona, Barcelona, Spain
  Supervisors: Mariona Sodupe and Luis Rodríguez-Santiago
  Grade: Excellent, Cum Laude​

• M.Sc. in Theoretical and Computational Chemistry (2007-2008)
  Universitat Autònoma de Barcelona, Barcelona, Spain
  Supervisors: Mariona Sodupe and Luis Rodríguez-Santiago
  Grade: Excellent​

• B.Sc. in Chemistry (2001-2006)
  Universidad de Cartagena, Cartagena, Colombia
  Graduated with honors (top 10 national scores, ECAES-2005)​

Postdoctoral Positions

• Research Associate (2012-2014)
  Universitat Autònoma de Barcelona, Spain (PI: Mariona Sodupe)​

• Research Associate (2011-2012)
  The City University of New York, USA (PI: Joseph J. Dannenberg)

Research Interests

Ph.D. Theses

• Adrián Orjuela Rocha (2019-2024)
  Estudios DFT de sistemas modelo de complejos Fe-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer
  Universidad Nacional de Colombia, Bogotá
  Grade: Excellent, Meritorious Mention​

• Jorge Puello Silva (2019-2025)
  Estructura electrónica y molecular de complejos de amiloide beta Aβ con Fe-Aβ asociados a la enfermedad de Alzheimer
  Universidad Nacional de Colombia, Bogotá
  Grade: Excellent, Meritorious Mention​

• Maicol Ahumedo (2014-2018)
  External advisor, Universidad de Cartagena
  Grade: Excellent​

Master's Theses

• Nicolás Montoya Moreno (2021-2024)
  Universidad Nacional de Colombia, Bogotá
  Grade: Excellent, Meritorious Mention​

• Sara Molina Londoño (2022-2025)
  Universidad Militar Nueva  Granada,  Cajicá
  Grade: Excellent

• Nicolás Puentes Díaz (2021-2023)
  Universidad Nacional de Colombia, Bogotá
  Grade: Excellent, Cum Laude​

• Alexander Rondón (2018-2021)
  Universidad Nacional de Colombia, Bogotá
  Grade: Excellent​

• Luisa Fernanda Espín (2018-2021)
  Universidad Nacional de Colombia, Bogotá
  Grade: Excellent​

• Diego Chaparro (2015-2017)
  Universidad Nacional de Colombia, Bogotá
  Grade: Excellent, Meritorious Mention​

• Andrea Mirats (2012-2013)
  Co-director, Universitat Autònoma de Barcelona, Spain
  Grade: Excellent​

Bachelor's Theses 

• Ana Leonor Acevedo (2025)

• Juan José Cortina (2025)

• Daniel Restrepo (2022)

• Nicolás Puentes (2022)

• Nicolás Montoya (2022)

• Luisa Fernanda Espín (2018)

• Adrián Orjuela Rocha (2017)
  
  

Universidad Nacional de Colombia, Bogotá​

Publications (last 5 years)

Full list of publications: link

2026

1. Gonzalez-Oñate, A.; Chaparro, D.; Quevedo, R.; Alí-Torres, J., Flores-Gaspar, A. NMR Spectroscopic and Computational Analysis of E/Z Isomerism in Imines Derived from Isatin, RSC Advances, 2026, (16), 4, 12238-12245.

2. A. Torres, C. Cappelli, A. Restrepo, J. Alí-Torres, S. Gómez, Ligand Versatility and Resistance Mechanism of Monotherapy-grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations, Journal of Chemical Information and Modelling, Accepted, (2026). 

2025

3. Roldán-Martín, L.; Rodríguez-Santiago, L.; Alí-Torres, J.; Maréchal, J. D.; Sodupe, M. Metal-Induced Folding of Oligopeptides. In Computational Bioinorganics: From Description to Prediction; John Wiley & Sons, Inc.: 2025; pp. 159–178.

4. Ortega-Gaxiola, J. I.; Serrano-García, J. S.; Amaya-Flórez, A.; Galindo, J. R.; Arenaza-Corona, A.; Hernández-Ortega, S.; Ramírez-Apan, T.; Alí-Torres, J.; Orjuela, A. L.; Reyes-Márquez, V.; Acosta-Encinas, M.; Colorado-Peralta, R.; Morales-Morales, D. Preliminary Study of the Cytotoxic Activity of Pd(II) and Pt(II) Complexes Bearing PN Ligands Derived from Aminoalcohols. Inorganics, 2025, 13 (12), 398.

5. Murillo, M. I.; Mejía, C. F.; Restrepo-Acevedo, A.; Barraud, B.; Orjuela, A. L.; Flores-Alamo, M.; Toscano, R. A.; Alí-Torres, J.; Ryabov, A. D.; Le Lagadec, R. DNA Binding with Dipyrromethene Ruthenium (II) Complexes. Inorganics, 2025, 13 (6), 198.

6. Cruz-Navarro, J. A.; Delgado-Rangel, L. H.; Malpica-Calderón, R.; Sánchez-Mora, A. T.; Ponce-Bolaños, H.; González-Oñate, A. F.; Alí-Torres, J.; Colorado-Peralta, R.; Canseco-Gonzalez, D.; Reyes-Márquez, V.; Morales-Morales, D. Advances in the Exploration of Coordination Complexes of Vanadium in the Realm of Alzheimer’s Disease: A Mini Review. Molecules, 2025, 30 (12), 2547.

7. Serrano-García, J. S.; Amaya-Flórez, A.; Arenaza-Corona, A.; Ramírez-Apan, M. T.; Orjuela, A. L.; Alí-Torres, J.; Flores-Alamo, M.; Hernández-Ortega, S.; Cano-Sánchez, P.; Morales-Morales, D. Synthesis and Cytotoxic Activity of Morpholino-s-Triazine Derivatives of POCOP-Ni(II) Pincers. Dalton Transactions, 2025, 54, 16836–16847.

8. Moreno-Narváez, M. E.; Arenaza-Corona, A.; González-Sebastián, L.; Ramírez-Apan, T.; Hernández-Ortega, S.; Cruz-Navarro, J. A.; Alí-Torres, J.; Orjuela, A. L.; Reyes-Márquez, V.; Lomas-Romero, L.; Morales-Morales, D. Glycoconjugate Pd(II) and Cu(II) Complexes of Fluorinated N,O Schiff Base Ligands for Targeted Cancer Therapy: Synthesis, Characterization and In Vitro Cytotoxic Activity. New Journal of Chemistry, 2025, 49 (13), 5187–5199.

9. Amaya-Flórez, A.; Serrano-García, J. S.; Ruiz-Galindo, J.; Arenaza-Corona, A.; Hernández-Ortega, S.; Orjuela, A. L.; Alí-Torres, J.; Flores-Alamo, M.; Reyes-Márquez, V.; Morales-Morales, D. N-(Methyl) Phthalimide Para Functionalized Ni(II)–POCOP Pincer Complexes: Synthesis, Characterization and Biological Activity. New Journal of Chemistry, 2025, 49 (13), 5173–5186.

10. Segovia-Pérez, R.; Muñoz-Flores, B. M.; Alvarado-Rodríguez, J. G.; Waksman, N.; Rivas, V.; del Angel-Mosqueda, C.; Vidyasagar, C. C.; Cavazos-Jaramillo, A. A.; Alcocer-González, J. M.; Puentes-Díaz, N.; Alí-Torres, J.; Jiménez-Pérez, V. M. Microwave-Assisted Synthesis, Characterization and Molecular Docking of Two C2-Symmetric Schiff Bases as Fluorescent Dye for Silk Fibroin. Journal of Molecular Structure, 2025, 1323, 140775.

11. Morales-Morales, D.; Arenaza-Corona, A.; Sánchez-Portillo, P.; González-Sebastián, L.; Sánchez-Mora, A.; Monroy-Torres, B.; Ramírez-Apan, T.; Puentes-Díaz, N.; Alí-Torres, J.; Barba, V.; Reyes-Marquez, V. Water-Soluble Curcumin Derivatives Including Aza-Crown Ether Macrocycles as Enhancers of Their Cytotoxic Activity. Chemistry & Biodiversity, 2025, e202402083.

2024

12. Montoya-Moreno, N.; Seijas, L. E.; Flores-Gaspar, A.; Torres, F. J.; Alí-Torres, J. Computational Evaluation of the Oxidation of Superoxide to Molecular Dioxygen Mediated by NNNN-Tetradentate Copper Complexes. RSC Advances, 2024, 14 (51), 38153–38161.

13. Morales-Morales, D.; Amaya-Flórez, A.; Serrano-García, J.; Ruiz-Galindo, J.; Arenaza-Corona, A.; Cruz-Navarro, J. A.; Orjuela, A.; Alí-Torres, J.; Flores-Alamo, M.; Cano Sánchez, P.; Reyes, V. POCOP-Ni(II) Pincer Compounds Derived from Phloroglucinol: Cytotoxic and Antioxidant Evaluation. Frontiers in Chemistry, 2024, 12, 1483999.

14. Orjuela, A. L.; Pecchio, M.; Cruz-Mora, J.; Emani, L. S.; Carreira, M. B.; Larionov, O. V.; Hegde, M. L.; Rao, K. S. J.; Alí-Torres, J.; Lakey-Beitia, J. The Role of Carotenoids from Red Mamey Fruit (Pouteria sapota) Against Amyloid Monomers in Alzheimer’s Disease: Computational Analysis and ADMET Prediction. Journal of Alzheimer’s Disease, 2024, 102 (3), 745–762.

15. Puello-Silva, J.; Alí-Torres, J. Computational 3D Models of Fe2+/3+-Aβ1−42 Complexes Associated with Alzheimer’s Disease. Journal of Physical Chemistry B, 2024, 128 (29), 7022–7032.

16. Gonzalez-Oñate, A.; Alí-Torres, J.; Quevedo, R. Hydrogen Bond-Assisted Macrocyclic Synthesis: An Extended Application for 4-Hydroxybenzylamine Derivatives. ChemistrySelect, 2024, 9 (34), e202402715.

17. Morales-Morales, D.; Sánchez-Mora, A.; Briñez, E.; Pico, A.; González-Sebastián, L.; Cruz-Navarro, A.; Arenaza-Corona, A.; Puentes-Díaz, N.; Alí-Torres, J.; Reyes-Márquez, V. Synthesis of Para-Acetylated Functionalized Ni(II)-POCOP Pincer Complexes and Their Cytotoxicity Evaluation Against Human Cancer Cell Lines. Chemistry & Biodiversity, 2024, e202400995.

18. Sánchez-Mora, A.; Briñez, E.; Pico, A.; González-Sebastián, L.; Cruz-Navarro, J. A.; Arenaza-Corona, A.; Puentes-Díaz, N.; Alí-Torres, J.; Reyes-Márquez, V.; Morales-Morales, D. Front Cover: Synthesis of Para-Acetylated Functionalized Ni(II)-POCOP Pincer Complexes and Their Cytotoxicity Evaluation Against Human Cancer Cell Lines. Chemistry & Biodiversity, 2024, 21 (9), e202470901.

19. Gonzalez-Oñate, A.; Alí-Torres, J.; Quevedo, R. The Role of Non-Covalent Interactions in 4-Hydroxybenzylamine Macrocyclisation: Computational and Synthetic Evidence. RSC Advances, 2024, 14 (6), 3691–3697.

20. Nieto-Alfonso, S.; Puentes Díaz, N.; Alí-Torres, J. Evaluation of the Xtb Semiempirical Method for the Prediction of Antioxidant Properties in Alzheimer’s Disease: Salen-Type Ligands. Revista Facultad de Ciencias Básicas, 2024, 18 (2), 103–113.

21. Puentes-Díaz, N.; Chaparro, D.; Reyes-Marquez, V.; Morales-Morales, D.; Flores-Gaspar, A.; Alí-Torres, J. Computational Evaluation of the Potential Pharmacological Activity of Salen-Type Ligands in Alzheimer’s Disease. Journal of Alzheimer’s Disease, 2024, 99 (S2), S383–S396.

2023

22. Puentes-Díaz, N.; Chaparro, D.; Morales-Morales, D.; Alí-Torres, J.; Flores-Gaspar, A. Pincer Ligands as Multifunctional Agents for Alzheimer’s Copper Dysregulation and Oxidative Stress: A Computational Evaluation. ChemPlusChem, 2023, 88 (12), e202300405.

23. Puentes-Díaz, N.; Chaparro, D.; Morales-Morales, D.; Flores-Gaspar, A.; Alí-Torres, J. Role of Metal Cations of Copper, Iron and Aluminum and Multifunctional Ligands in Alzheimer’s Disease: Experimental and Computational Insights. ACS Omega, 2023, 8 (5), 4508–4526.

24. Alvarez-Ricardo, Y.; Meza-Morales, W.; Obregón-Mendoza, M. A.; Toscano, R. A.; Núñez-Zarur, F.; Germán-Acacio, J. M.; Puentes-Díaz, N.; Alí-Torres, J.; Arenaza-Corona, A.; Ramírez-Apan, M. T.; Morales-Morales, D.; Enríquez, R. G. Synthesis, Characterization, Theoretical Studies and Antioxidant and Cytotoxic Evaluation of a Series of Tetrahydrocurcumin (THC)-Benzylated Derivatives. Journal of Molecular Structure, 2023, 134355.

25. López-Sánchez, R.; Pioquinto-Mendoza, J.; González-Sebastián, L.; Toscano, R. A.; Flores-Alamo, M.; Ramírez-Apan, M.; Orjuela, A.; Alí-Torres, J.; Morales-Morales, D. Synthesis and Preliminary In Vitro Cytotoxic Activity of Pd(II) Complexes Including Salen- or Salphen-Ligands. Inorganica Chimica Acta, 2023, 550, 121450.

26. Canseco Gonzalez, D.; Rodríguez-Victoria, I.; Apam-Ramírez, T.; Viviano-Posadas, A.; Serrano-García, J.; Arenaza-Corona, A.; Orjuela, A.; Alí-Torres, J.; Dorazco-González, A.; Morales-Morales, D. Facile, Single Step Synthesis of a Series of D-Ring Ethisterone Substituted with 1,4-1,2,3-Triazoles. Preliminary Evaluation of Their Cytotoxic Activities. ChemMedChem, 2023, e202200659.

27. Canseco-Gonzalez, I.; Rodríguez-Victoria, M.; Apam-Ramírez, T.; Viviano-Posadas, A.; Serrano-García, J.; Arenaza-Corona, A.; Orjuela, A.; Alí-Torres, J.; Dorazco-González, A.; Morales-Morales, D. Front Cover: Facile, Single Step Synthesis of a Series of D-Ring Ethisterone Substituted with 1,4-1,2,3-Triazoles. ChemMedChem, 2023, e202200659.

28. Seijas, L. E.; Zambrano, C. H.; Almeida, R.; Alí-Torres, J.; Rincón, L.; Torres, F. J. Exploring the Non-Covalent Bonding in Water Clusters. International Journal of Molecular Sciences, 2023, 24 (6), 5271.

2022

29. Orjuela, A.; Núñez-Zarur, F.; Alí-Torres, J. A Computational Protocol for the Calculation of the Standard Reduction Potential of Iron Complexes: Application to Fe2+/3+–Aβ Model Systems Relevant to Alzheimer’s Disease. RSC Advances, 2022, 12, 24077–24087.

30. Seijas, L. E.; Zambrano, C. H.; Rodríguez, V.; Alí-Torres, J.; Rincón, L.; Torres, F. J. A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)aloxime. Molecules, 2022, 27 (21), 7283.

2021

31. Chaparro, D.; Flores-Gaspar, A.; Alí-Torres, J. Computational Design of Copper Ligands with Controlled Metal Chelating, Pharmacokinetics and Redox Properties for Alzheimer’s Disease. Journal of Alzheimer’s Disease, 2021, 82, 179–193.

32. Orjuela, A.; Lakey-Beitia, J.; Mojica-Flores, R.; Kumar, J.; Hegde, M. L.; Lans, I.; Alí-Torres, J.; Rao, K. S. J. Computational Evaluation of Interaction Between Curcumin Derivatives and Amyloid-β Monomers and Fibrils. Journal of Alzheimer’s Disease, 2021, 82, 321–333.

33. Linares-Anaya, O.; Avila-Sorrosa, A.; Díaz-Cedillo, F.; Gil-Ruiz, L. A.; Correa-Basurto, J.; Salazar-Mendoza, D.; Orjuela, A. L.; Alí-Torres, J.; Ramírez-Apan, M. T.; Morales-Morales, D. Synthesis, Characterization, and Preliminary In Vitro Cytotoxic Evaluation of a Series of 2-Substituted Benzo[d][1,3]Azoles. Molecules, 2021, 26, 2780.

Selected Academic Awards​

• Honorable Mention, Shizu and Yu Takeuchi National Science Awards, Colombian Academy of Exact, Physical and Natural Sciences, 2024.​

• Ph.D. Meritorious Mention (Jorge Puello-Silva, 2025).

• Ph.D. Meritorious Mention (Adrián Orjuela, 2024).

• Ms.C. Meritorious Mention (Nicolás Montoya-Moreno, 2024).

• Ms.C. Cum Laude Mention (Nicolás Puentes-Diaz, 2023).

• Ms.C. Meritorious Mention (Diego Chaparro, 2017).

• 1st place in the poster competition at the 2021 Inorganic Chemistry Meeting (EQI), México. Presented by Nicolás Puentes-Díaz.

• 2nd place in the poster competition at LatinXChem 2021. Presented by Nicolás Puentes-Díaz.

• Best poster, 1st Protein Structure, Function, and Drug Discovery School, 2017, Universidad de Los Andes, Bogotá, Colombia. Presented by Laura Pedraza.

• Cum laude distinction for Ph.D. thesis, Universitat Autònoma de Barcelona, 2011.

• Poster Prize, 6th Congress of the World Association of Theoretical and Computational Chemists (WATOC), 2011.