All Stories

  1. LIDEB's Useful Decoys (LUDe): A freely available decoy-generation tool. Benchmarking and scope

    Article • Artificial Intelligence in the Life Sciences, June 2025, Elsevier

    Carolina Bellera

  2. An update on the novel methods for the discovery of antiseizure and antiepileptogenic medications: where are we in 2024?

    Article • Expert Opinion on Drug Discovery, July 2024, Taylor & Francis

    Carolina Bellera

  3. Clustering of small molecules: new perspectives and their impact on natural product lead discovery

    Article • Frontiers in Natural Products, March 2024, Frontiers

    Carolina Bellera

  4. Clustering of Small Molecules

    Article • January 2024, Springer Science + Business Media

    Carolina Bellera

  5. Compartmental Pharmacokinetic Models

    Article • January 2024, Springer Science + Business Media

    Carolina Bellera

  6. Drug Absorption

    Article • January 2024, Springer Science + Business Media

    Carolina Bellera

  7. Drug Distribution

    Article • January 2024, Springer Science + Business Media

    Carolina Bellera

  8. Drug Excretion

    Article • January 2024, Springer Science + Business Media

    Carolina Bellera

  9. Drug Metabolism

    Article • January 2024, Springer Science + Business Media

    Carolina Bellera

  10. Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro

    Article • Frontiers in Pharmacology, June 2023, Frontiers

    Dr Mariela Bollati-Fogolin, Carolina Bellera

  11. Drug repurposing screening validated by experimental assays identifies two clinical drugs targeting SARS-CoV-2 main protease

    Article • Frontiers in Drug Discovery, January 2023, Frontiers

    Carolina Bellera

  12. LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps

    Article • Artificial Intelligence in the Life Sciences, December 2022, Elsevier

    Carolina Bellera

  13. iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules

    Article • Journal of Chemical Information and Modeling, June 2022, American Chemical Society (ACS)

    Carolina Bellera

  14. Drug Discovery Paradigms: Phenotypic-Based Drug Discovery

    Article • January 2022, Springer Science + Business Media

    Carolina Bellera

  15. Structure-Based Binding Pocket Detection and Druggability Assessment

    Article • January 2022, Springer Science + Business Media

    Carolina Bellera

  16. Free Drug Theory

    Article • December 2021, Springer Science + Business Media

    Carolina Bellera

  17. Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study

    Article • Journal of Chemical Information and Modeling, July 2021, American Chemical Society (ACS)

    Carolina Bellera

  18. Ensemble learning application to discover new trypanothione synthetase inhibitors

    Article • Molecular Diversity, July 2021, Springer Science + Business Media

    Carolina Bellera

  19. Active and Facilitated Transport in Drug Absorption

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  20. Biliary Drug Excretion

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  21. Brain-to-Plasma Concentration Ratio and Unbound Partition Coefficient

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  22. Central Nervous System Bioavailability

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  23. Cytochrome P450

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  24. Drug Absorption

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  25. Drug Binding to Plasma Proteins

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  26. Drug Binding to Tissue Components

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  27. Drug Distribution

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  28. Drug Excretion

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  29. Drug Metabolism

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  30. Drug Metabolism Functionalization (Phase I) Reactions

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  31. Drug Metabolism Synthetic (Phase II) Reactions

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  32. Enterohepatic Recycling

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  33. Enzyme Induction and Drug Metabolism

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  34. Factors Impacting on Drug Metabolism

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  35. Free Diffusion in Drug Absorption

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  36. Intestinal Perfusion Models

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  37. One-Compartment Pharmacokinetic Model

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  38. Organic Anion Transporters and Organic Anion Transporting Polypeptides

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  39. Organic Cation Transporters

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  40. Peptide Transporters

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  41. Personalized Medicine and Drug Metabolism

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  42. Phase 0 and Phase III Transport

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  43. Real and Apparent Volumes of Distribution

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  44. Renal Drug Excretion

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  45. Solute Carrier (SLC) Transporters: An Overview

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  46. Total Clearance and Organ Clearance

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  47. Transcytosis in Drug Absorption and Distribution

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  48. Unbound Brain-to-Plasma Partition Coefficient Determination

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  49. pH Partition Theory

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  50. pKa Determination

    Article • January 2021, Springer Science + Business Media

    Carolina Bellera

  51. Can drug repurposing strategies be the solution to the COVID-19 crisis?

    Article • Expert Opinion on Drug Discovery, December 2020, Taylor & Francis

    Carolina Bellera

  52. Positive Predictive Value Surfaces as a Complementary Tool to Assess the Performance of Virtual Screening Methods

    Article • Mini-Reviews in Medicinal Chemistry, September 2020, Bentham Science Publishers

    Professor Alan Talevi, Juan Ignacio Alice, Carolina Bellera

  53. In Silico Drug Repositioning for Chagas Disease

    Article • Current Medicinal Chemistry, March 2020, Bentham Science Publishers

    Professor Alan Talevi, Carolina Bellera

  54. Challenges and opportunities with drug repurposing: finding strategies to find alternative uses of therapeutics

    Article • Expert Opinion on Drug Discovery, December 2019, Taylor & Francis

    Carolina Bellera

  55. Combined therapy with Benznidazole and repurposed drugs Clofazimine and Benidipine for chronic Chagas disease

    Article • European Journal of Medicinal Chemistry, October 2019, Elsevier

    Carolina Bellera

  56. Quantitative structure–activity relationship models for compounds with anticonvulsant activity

    Article • Expert Opinion on Drug Discovery, May 2019, Taylor & Francis

    Professor Alan Talevi, Carolina Bellera

  57. In Silico Modeling of FDA-Approved Drugs for Discovery of Therapies Against Neglected Diseases: A Drug Repurposing Approach

    Article • January 2019, Elsevier

    Carolina Bellera

  58. Application of Machine Learning Approaches to Identify New Anticonvulsant Compounds Active in the 6 Hz Seizure Model

    Article • January 2019, Springer Science + Business Media

    Carolina Bellera

  59. Modern Approaches for the Discovery of Anti-Infectious Drugs for the Treatment of Neglected Diseases

    Article • Current Topics in Medicinal Chemistry, June 2018, Bentham Science Publishers

    Professor Alan Talevi, Carolina Bellera

  60. Drug Excretion

    Article • January 2018, Springer Science + Business Media

    Carolina Bellera

  61. Drug Absorption

    Article • January 2018, Springer Science + Business Media

    Carolina Bellera

  62. Drug Distribution

    Article • January 2018, Springer Science + Business Media

    Carolina Bellera

  63. Drug Metabolism

    Article • January 2018, Springer Science + Business Media

    Carolina Bellera

  64. Drug Transporters

    Article • January 2018, Springer Science + Business Media

    Carolina Bellera

  65. The Challenge of Finding New Therapies for Sleeping Sickness

    Article • January 2018, Elsevier

    Carolina Bellera

  66. The application of molecular topology for ulcerative colitis drug discovery

    Article • Expert Opinion on Drug Discovery, November 2017, Taylor & Francis

    Carolina Bellera

  67. Novel cruzipain inhibitors for the chemotherapy of chronic Chagas disease

    Article • International Journal of Antimicrobial Agents, July 2016, Elsevier

    Carolina Bellera

  68. Computer-guided drug repurposing: Identification of trypanocidal activity of clofazimine, benidipine and saquinavir

    Article • European Journal of Medicinal Chemistry, March 2015, Elsevier

    Carolina Bellera

  69. Identification of Levothyroxine Antichagasic Activity through Computer-Aided Drug Repurposing

    Article • The Scientific World JOURNAL, January 2014, Hindawi Publishing Corporation

    Carolina Bellera

  70. Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects

    Article • Journal of Chemical Information and Modeling, August 2013, American Chemical Society (ACS)

    Carolina Bellera

  71. CNS Drug Development – Lost in Translation?

    Article • Mini-Reviews in Medicinal Chemistry, September 2012, Bentham Science Publishers

    Carolina Bellera

  72. An Integrated Drug Development Approach Applying Topological Descriptors

    Article • Current Computer - Aided Drug Design, July 2012, Bentham Science Publishers

    Carolina Bellera

  73. Synthesis of 2-Hydrazolyl-4-Thiazolidinones Based on Multicomponent Reactions and Biological Evaluation Against Trypanosoma Cruzi

    Article • Chemical Biology & Drug Design, January 2011, Wiley

    Carolina Bellera

  74. Prediction of drug intestinal absorption by new linear and non-linear QSPR

    Article • European Journal of Medicinal Chemistry, January 2011, Elsevier

    Carolina Bellera

  75. A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben

    Article • Journal of Computer-Aided Molecular Design, October 2007, Springer Science + Business Media

    Carolina Bellera

  76. Application of descriptors based on Lipinski’s rules in the QSPR study of aqueous solubilities

    Article • Bioorganic & Medicinal Chemistry, June 2007, Elsevier

    Carolina Bellera