Publicaciones últimos 5 años




Llanos M., Gantner M., Rodriguez S., Alberca L., Bellera C.L., Talevi A., Gavernet L. Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study (2021). Journal of Chemical Information and Modelling, 61,8, pp. 3758-3770. DOI:

Alice J. I., Bellera C. L., Benítez D., Comini M. A., Duchowicz P. R., & Talevi A. (2021). Ensemble learning application to discover new trypanothione synthetase inhibitors. Molecular diversity, 25(3), 1361–1373.

Enrique A. V., Di Ianni M. E., Goicoechea S., Lazarowski A., Valle-Dorado M. G., Costa J., Rocha L., Girardi E., & Talevi A. (2021). New anticonvulsant candidates prevent P-glycoprotein (P-gp) overexpression in a pharmacoresistant seizure model in mice. Epilepsy & behavior : E&B, 121(Pt B), 106451.

S. Scioli Montoto, G. Muraca, M. Di Ianni, M. Couyoupetrou, G. Pesce, G.A. Islan, C.Y. Chain, M.E. Vela, M.E. Ruiz, A. Talevi, G.R. Castro. (2021). Preparation, physicochemical and biopharmaceutical characterization of oxcarbazepine-loaded nanostructured lipid carriers as potential antiepileptic devices, Journal of Drug Delivery Science and Technology, 63,102470.

Talevi, A. (2021). Potential medicinal effects and applications of stevia constituents. Phytochem Rev.

Talevi, A., Duran, N., & Castro, G. R. (2021). Editorial: Lipid Nanoparticles as a Novel Strategy to Deliver Bioactive Molecules. Frontiers in chemistry, 9, 655480.

Bellera, C., Llanos M., Gantner M., Rodriguez S., Gavernet L., Comini M., Talevi A. Can drug repurposing strategies be the solution to the COVID-19 crisis? (2021). Expert Opinion on Drug Discovery,  pp. 605-612. DOI:



Scioli Montoto, S., Muraca G., Ruiz, M.E. Solid Lipid Nanoparticles for Drug Delivery: Pharmacological and Biopharmaceutical Aspects (2020). Frontiers in Molecular Biosciences, 7, pp. 1-24. DOI:

 Bélgamo, J.A., Alberca, L.N. Pórfido J.L., Caram Romero, F. N., Rodriguez, Talevi, A, Córsico, B., Franchini, G. R.. Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets (2020). Journal of Computer-Aided Molecular Design (2020), 34, pp. 1275–1288. DOI: 

 Morales, J.F., Chuguransky, S.R, Alberca, L.N, Alice, J.I., Goicoechea, S., Ruiz, M.E., Bellera, C.L., Talevi, A. Positivity Predictive Value surfaces as a complementary tool to assess the performance of virtual screening methods (2020). Mini Reviews in Medicinal Chemistry, 20(14), pp. 1447-1460. DOI:

 Auzmendi, J., Palestro, P., Blachman, A., Gavernet, L., Merelli, A., Talevi, A., Calabrese, G.C., Ramos, A.J., Lazarowski, A. Cannabidiol (CBD) Inhibited Rhodamine-123 Efflux in Cultured Vascular Endothelial Cells and Astrocytes Under Hypoxic Conditions (2020). Frontiers in Behavioral Neuroscience, 14, 32. DOI:10.3389/fnbeh.2020.00032

 Enrique, A.V., Martín, P., Sbaraglini, M.L., Talevi, A, Milesi, V. Parabens inhibit hNav 1.2 channels (2020). Biomedicine & Pharmacotherapy, 128, e110250. DOI:

 Sbaraglini, M.L., Chuguransky, S.R., Palestro, P., Gavernet, L., Talevi, A., García Liñares, G. Lipase Catalyzed Synthesis of Alkyl Phenylacetates with Anticonvulsant Activity (2020). Latin Americna Journal of Pharmacist, 39(7), pp. 1350-1356.

 Muraca, G.S., Talevi, Añ, Pesce, G. Enfermedad de Chagas: Novedades en nanomedicinas como estrategia terapéutica. (2020). Revista en Ciencia Reguladora, 6 , pp. 32-37.

 Sabatier, L.L., Palestro, P.H., Enrique, A.V., Pastore, V., Sbaraglini, M.L., Martín, P., Gavernet, L. Design, synthesis and biological evaluation of N-substituted α-hydroxyimides and 1,2,3-oxathiazolidine-4-one-2,2-dioxides with anticonvulsant activity (2020). Journal of Enzyme Inhibition and Medicinal Chemistry, 34(1), pp. 1465-1473. DOI: 10.1080/14756366.2019.1651722.

 Llanos, M.A., Sbaraglini, M.L., Villalba, M.L., Ruiz, M.D., Carrillo, C., Alba Soto, C., Talevi, A., Angeli, A., Parkkila, S., Supuran, C.T., Gavernet, L. A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors (2020). Journal of Enzyme Inhibition and Medicinal Chemistry, 35(1), pp. 21-30. DOI: 10.1080/14756366.2019.1677638.

 Talevi, A., Morales, J.F., Hather, G., Podichetty, J.T., Kim, S., Bloomingdale, P.C., Kim, S., Burton, J., Brown, J.D., Winterstein, A.G., Schmidt, S., White, J.K., Conrado, D.J (2020). CPT Pharmacometrics and systems pharmacology, 9(3), pp. 129-142. DOI: 10.1002/psp4.12491.

 Talevi, A., Bellera, C.L. Challenges and opportunities with drug repurposing: finding strategies to find alternative uses of therapeutics (2020) Expert Opinion on Drug Discovery, 15(4), pp. 397-401. DOI: 10.1080/17460441.2020.1704729.

 Bellera, C.L., Alberca, L.N., Sbaraglini, M.L., Talevi, A. In Silico Drug Repositioning for Chagas Disease (2020). Current Medicinal Chemistry, 27(5), pp. 662-675. DOI: 10.2174/0929867326666191016114839.


1.- Auzmendi, J., Palestro, P., Blachman, A., Gavernet, L., Merelli, A., Talevi, A., Calabrese, G.C., Ramos, A.J., Lazarowski, A. Cannabidiol (CBD) Inhibited Rhodamine-123 Efflux in Cultured Vascular Endothelial Cells and Astrocytes Under Hypoxic Conditions (2019). Frontiers in Behavioral Neuroscience. DOI: 10.3389/fnbeh.2020.00032.

2.- Talevi, A., Carrillo, C., Comini, M. The thiol-polyamine metabolism of Trypanosoma cruzi: molecular targets and drug repurposing strategies (2019). Current medicinal chemistry, 26(36), pp. 6614-6635. DOI: 10.2174/0929867325666180926151059.

3.- Sbaraglini, M.L., Bellera, C.L., Quarroz Braghini, J., Areco, Y., Miranda, C., Carrillo, C., Kelly, J., Buchholz, B., Gelpi, R.J., Talevi, A., Alba Soto, C.D. (2019). Combined therapy with Benznidazole and repurposed drugs Clofazimine and Benidipine for chronic Chagas disease. European Journal of Medicinal Chemistry, 184:111778. DOI: 10.1016/j.ejmech.2019.111778.

4.- Rodenak-Kladniew, B., Scioli Montoto, S., Sbaraglini, M.L., Di Ianni, M., Ruiz, M.E., Talevi, A., Alvarez, V.A., Durán, N., Castro, G.R., Islan, G.A. Hybrid Ofloxacin/eugenol co-loaded solid lipid nanoparticles with enhanced and targetable antimicrobial properties (2019). International Journal of Pharmaceutics, 569:118575. DOI: 10.1016/j.ijpharm.2019.118575.

5.- Goicoechea, S., Sbaraglini, M.L., Chuguransky, S.R., Morales, J.F., Ruiz, M.E., Talevi, A., Bellera, C.L. Application of Machine Learning Approaches to Identify New Anticonvulsant Compounds Active in the 6 Hz Seizure Model, (2019). Computational Neuroscience. LAWCN 2019. Communications in Computer and Information Science, 1068, pp.3-19. DOI: 10.1007/978-3-030-36636-0_1

6.- Enrique, A.V., Di Ianni, M.E., Goicoechea, S., Lazarowski, A., Valle-Dorado, M.G., Costa, J.J.L., Rocha, L., Girardi, E., Talevi, A. New anticonvulsant candidates prevent P-glycoprotein (P-gp) overexpression in a pharmacoresistant seizure model in mice (2019). Epilepsy & Behavior, 106451. DOI: 10.1016/j.yebeh.2019.106451.

7.- Bellera, C.L., Talevi, A. Quantitative structure–activity relationship models for compounds with anticonvulsant activity (2019). Expert opinion on drug discovery 14(7), pp.653-665. DOI: 10.1080/17460441.2019.1613368.

8.- Alberca, L.N., Chuguransky, S.R., Alvárez, C.L., Talevi, A., Salas-Sarduy, E. In silico Guided Drug Repurposing: Discovery of New Competitive and Non-competitive Inhibitors of Falcipain-2 (2019). Frontiers in Chemistry, 7, 534. DOI: 10.3389/fchem.2019.00534

9.- Bellera, C.L., Sbaraglini, M.L., Alberca, L.N., Alice, J.I., Talevi, A. In Silico Modeling of FDA-Approved Drugs for Discovery of Therapies Against Neglected Diseases: A Drug Repurposing Approach (2019). Repurposing Techniques and Methodologies. In Silico Drug Design, chapter 21, pp 625-648. DOI: 10.1016/B978-0-12-816125-8.00021-3

10.- Cacicedo, M.L., Ruiz, M.C., Scioli Montoto, S., Ruiz, M.E., Fernández, M.A., Torres Sanchez, R.M., Baran, E.J., Castro, G.R., León, E.I. Lipid nanoparticles – Metvan: revealing a novel way to deliver a vanadium compound to bone cancer cells (2019). New Journal of Chemistry, 43, pp. 17726-17734. DOI: 10.1039/C9NJ01634A



1.- Morales, J.F., Alberca, L.N., Chuguransky, S., Di Ianni, M.E., Talevi, A. Ruiz, M.E. Molecular Topology and Other Promiscuity Determinants as Predictors of Therapeutic Class – A Theoretical Framework to Guide Drug Repositioning? (2018). Current Topics in Medicinal Chemistry, 18(13), pp. 1110-1122. DOI: 10.2174/1568026618666180801091642

2.- Palestro, P.H., Enrique, N., Goicoechea, S., Villalba, M.L., Sabatier, L.L., Martin, P., Milesi, V., Bruno Blanch, L.E., Gavernet, L. Searching for New Leads To Treat Epilepsy: Target-Based Virtual Screening for the Discovery of Anticonvulsant Agents (2018). Journal of chemical information and modeling, 58(7), pp. 1331–1342. DOI: 10.1021/acs.jcim.7b00721.

3.- Bellera, C. L., Sbaraglini, M. L., Talevi, A. Modern Approaches for the Discovery of Anti-Infectious Drugs for the Treatment of Neglected Diseases (2018). Current Topics in Medicinal Chemistry , 18(5), pp. 369-381. DOI: 10.2174/1568026618666180509151146

4.- Alberca, L. N., Sbaraglini, M. L., Morales, J. F., Dietrich, R. C., Ruiz, D., Pino Martinez A., Miranda, C., Fraccaroli, L., Palestro, P., Alba Soto, C., Carrillo, C., Talevi, A. Cascade Ligand- and Structure-Based Virtual Screening to Identify New Trypanocidal Compounds Inhibiting Putrescine Uptake. (2018). Front. Cell. Infect. Microbiol.  DOI:10.3389/fcimb.2018.00173

5.- Sbaraglini, M.L., Bellera, C.L., Talevi, A. The Challenge of Finding New Therapies for Sleeping Sickness (2018) The Microbiology of Central Nervous System Infections, Chapter 14, pp. 279-303. DOI:10.1016/B978-0-12-813806-9.00014-7

6.- Scioli Montoto, S., Sbaraglini, M.L., Talevi, A., Couyoupetrou, M., Di Ianni, M., Pesce, G.O., Alvarez, V.A. Bruno-Blanch, L.E., Castro, G.R., Ruiz, M.E., Island, G.A. Carbamazepine-loaded solid lipid nanoparticles and nanostructured lipid carriers: physicochemical characterization and in vitro/in vivo evaluation (2018) Colloids and Surfaces B: Biointerfaces, In Press, DOI:10.1016/j.colsurfb.2018.03.052

7.- Dietrich, R.C., Alberca, L.N., Ruiz, M.D., Palestro, P.H., Carrillo, C., Talevi, A., Gavernet, L. Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screening (2018) European Journal of Medicinal Chemistry, 149, pp. 22-29.  DOI: 10.1016/j.ejmech.2018.02.006

8.- Bellera, C.L., Di Ianni, M.E., Talevi, A. The application of molecular topology for ulcerative colitis drug discovery (2018) Expert Opinion on Drug Discovery, 13 (1), pp. 89-101. DOI: 10.1080/17460441.2018.1396314


1.- Gantner, M.E., Peroni, R.N., Morales, J.F., Villalba, M.L., Ruiz, M.E., Talevi, A. Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage (2017) Journal of Chemical Information and Modeling, 57 (8), pp. 1868-1880. DOI: 10.1021/acs.jcim.7b00016

2.- Gantner, M.E., Alberca, L.N., Mercader, A.G., Bruno-Blanch, L.E., Talevi, A. Integrated application of enhanced replacement method and ensemble learning for the prediction of BCRP/ABCG2 substrates (2017) Current Bioinformatics, 12 (3), pp. 239-248. DOI: 10.2174/1574893611666151109193016

3.- Pastore, V., Wasowski, C., Martin, P., Enrique, A., Higgs, J., Bruno-Blanch, L.E., Milesi, V., Marder, M. N-propyl-2,2-diphenyl-2-hydroxyacetamide, a novel α-hydroxyamide with anticonvulsant, anxiolytic and antidepressant-like effects that inhibits voltage-gated sodium channels (2018) European Journal of Pharmacology, 819, pp. 270-280. DOI: 10.1016/j.ejphar.2017.11.048 

4.- Pisera-Fuster, A., Otero, S., Talevi, A., Bruno-Blanch, L., Bernabeu, R. Anticonvulsant effect of sodium cyclamate and propylparaben on pentylenetetrazol-induced seizures in zebrafish (2017) Synapse, 71 (4), art. no. e21961. DOI: 10.1002/syn.21961 

5.- Santana-Gómez, C.E., Orozco-Suárez, S.A., Talevi, A., Bruno-Blanch, L., Magdaleno-Madrigal, V.M., Fernández-Mas, R., Rocha, L. Propylparaben applied after pilocarpine-induced status epilepticus modifies hippocampal excitability and glutamate release in rats(2017) NeuroToxicology, 59, pp. 110-120.  DOI: 10.1016/j.neuro.2017.01.009 

6.- Couyoupetrou, M., Gantner, M.E., Di Ianni, M.E., Palestro, P.H., Enrique, A.V., Gavernet, L., Ruiz, M.E., Pesce, G., Bruno-Blanch, L.E., Talevi, A. Computer-aided recognition of abc transporters substrates and its application to the development of new drugs for refractory epilepsy (2017) Mini-Reviews in Medicinal Chemistry, 17 (3), pp. 205-215. DOI: 10.2174/1389557516666161013103408 

7.- Enrique, A., Goicoechea, S., Castaño, R., Taborda, F., Rocha, L., Orozco, S., Girardi, E., Bruno Blanch, L.New model of pharmacoresistant seizures induced by 3-mercaptopropionic acid in mice (2017) Epilepsy Research, 129, pp. 8-16. DOI: 10.1016/j.eplepsyres.2016.10.012 

8.- Islan, G.A., Ruiz, M.E., Morales, J.F., Sbaraglini, M.L., Enrique, A.V., Burton, G., Talevi, A., Bruno-Blanch, L.E., Castro, G.R. Hybrid inhalable microparticles for dual controlled release of levofloxacin and DNase: Physicochemical characterization and in vivo targeted delivery to the lungs (2017) Journal of Materials Chemistry B, 5 (17), pp. 3132-3144.  DOI: 10.1039/c6tb03366k

9.- Sbaraglini, M.L., Talevi, A. Hybrid compounds as anti-infective agents (2017) Current Topics in Medicinal Chemistry, 17 (9), pp. 1080-1095. DOI: 10.2174/15680266166661609271609124

10.-  Talevi, A., Castro, G.R. Targeted therapies (2017) Mini-Reviews in Medicinal Chemistry, 17 (3), pp. 186-187.  DOI:


1.-  Talevi, A. Computational approaches for innovative antiepileptic drug discovery (2016) Expert Opinion on Drug Discovery, 11 (10), pp. 1001-1016. DOI: 10.1080/17460441.2016.1216965

2.-  Talevi, A. The importance of bioactivation in computer-guided drug repositioning. Why the parent drug is not always enough (2016) Current Topics in Medicinal Chemistry, 16 (19), pp. 2078-2087.

3.- Sbaraglini, M.L., Vanrell, M.C., Bellera, C.L., Benaim, G., Carrillo, C., Talevi, A., Romano, P.S. Neglected tropical protozoan diseases: Drug repositioning as a rational option (2016) Current Topics in Medicinal Chemistry, 16 (19), pp. 2201-2222.

4.-  Sbaraglini, M.L., Bellera, C.L., Fraccaroli, L., Larocca, L., Carrillo, C., Talevi, A., Alba Soto, C.D. Novel cruzipain inhibitors for the chemotherapy of chronic Chagas disease (2016) International Journal of Antimicrobial Agents, 48 (1), pp. 91-95. DOI: 10.1016/j.ijantimicag.2016.02.018

5.- Talevi, A. Tailored Multi-Target Agents. Applications and Design Considerations (2016) Current Pharmaceutical Design, 22 (21), pp. 3164-3170. DOI:

6.-  Alberca, L.N., Sbaraglini, M.L., Balcazar, D., Fraccaroli, L., Carrillo, C., Medeiros, A., Benitez, D., Comini, M., Talevi, A. Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning (2016) Journal of Computer-Aided Molecular Design, 30 (4), pp. 305-321. DOI: 10.1007/s10822-016-9903-6

7.-  Villalba, M.L., Enrique, A.V., Higgs, J., Castaño, R.A., Goicoechea, S., Taborda, F.D., Gavernet, L., Lick, I.D., Marder, M., Bruno Blanch, L.E. Novel sulfamides and sulfamates derived from amino esters: Synthetic studies and anticonvulsant activity (2016) European Journal of Pharmacology, 774, pp. 55-63. DOI: 10.1016/j.ejphar.2016.02.001

8.-  Villalba, M.L., Palestro, P., Ceruso, M., Gonzalez Funes, J.L., Talevi, A., Bruno Blanch, L., Supuran, C.T., Gavernet, L. Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action (2016) Bioorganic and Medicinal Chemistry, 24 (4), pp. 894-901. DOI: 10.1016/j.bmc.2016.01.012


1.-  Bellera, C.L., Di Ianni, M.E., Sbaraglini, M.L., Castro, E.A., Bruno-Blanch, L.E., Talevi, A. Knowledge-Based Drug Repurposing: A Rational Approach Towards the Identification of Novel Medical Applications of Known Drugs (2015) Frontiers in Computational Chemistry, 1, pp. 44-81. DOI: 10.1016/B978-1-60805-865-5.50002-2

2.-  Di Ianni, M.E., Del Valle, M.E., Enrique, A.V., Rosella, M.A., Bruno, F., Bruno-Blanch, L.E., Talevi, A. Computer-aided identification of anticonvulsant effect of natural nonnutritive sweeteners stevioside and rebaudioside A (2015) Assay and Drug Development Technologies, 13 (6), pp. 313-318. DOI: 10.1089/adt.2015.29010.meddrrr

3.- Bellera, C.L., Balcazar, D.E., Vanrell, M.C., Casassa, A.F., Palestro, P.H., Gavernet, L., Labriola, C.A., Gálvez, J., Bruno-Blanch, L.E., Romano, P.S., Carrillo, C., Talevi, A. Computer-guided drug repurposing: Identification of trypanocidal activity of clofazimine, benidipine and saquinavir (2015) European Journal of Medicinal Chemistry, 93, pp. 338-348. DOI: 10.1016/j.ejmech.2015.01.065

4.-  Rocha, L., Santana-Gómez, C., Rosillo-de la Torre, A., Magdaleno-Madrigal, V., Alonso-Vanegas, M., Velasco, F., Bruno-Blanch, L. Epilepsy Therapeutics (2015) Brain Mapping: An Encyclopedic Reference, 3, pp. 887-894. DOI: 10.1016/B978-0-12-397025-1.00105-6

5.-  Di Ianni, M.E., Gantner, M.E., Ruiz, M.E., Castro, E.A., Bruno-Blanch, L.E., Talevi, A. Systematic comparison of the performance of different 2D and 3D ligand-based virtual screening methodologies to discover anticonvulsant drugs (2015). Combinatorial Chemistry and High Throughput Screening, 18 (4), pp. 387-398.

6.-  Di Ianni, M.E., Enrique, A.V., Del Valle, M.E., Aldana, B., Rosella, M.A., Rocha, L., Castro, E.A., Bruno-Blanch, L.E., Talevi, A. Is there a relationship between sweet taste and seizures? Anticonvulsant and proconvulsant effects of non-nutritive sweeteners (2015) Combinatorial Chemistry and High Throughput Screening, 18 (4), pp. 335-345.

7.- Talevi, A. Multi-target pharmacology: Possibilities and limitations of the “skeleton key approach” from a medicinal chemist perspective (2015) Frontiers in Pharmacology, 6 (SEP), art. no. 205, . DOI: 10.3389/fphar.2015.00205

8.- Bellera, C.L., Sbaraglini, M.L., Balcazar, D.E., Fraccaroli, L., Cristina Vanrell, M., Florencia Casassa, A., Labriola, C.A., Romano, P.S., Carrillo, C., Talevi, A. High-throughput drug repositioning for the discovery of new treatments for chagas disease (2015) Mini-Reviews in Medicinal Chemistry, 15 (3), pp. 182-193.