All Stories

  1. Reliable Prediction of Caco-2 Permeability by Supervised Recursive Machine Learning Approaches

    Article • Pharmaceutics, September 2022, MDPI AG

    Dr Miguel Ángel Cabrera-Pérez

  2. Integration of In Silico, In Vitro and In Situ Tools for the Preformulation and Characterization of a Novel Cardio-Neuroprotective Compound during the Early Stages of Drug Development

    Article • Pharmaceutics, January 2022, MDPI AG

    Dr Miguel Ángel Cabrera-Pérez

  3. ADME prediction with KNIME: A retrospective contribution to the second “Solubility Challenge”

    Article • ADMET & DMPK, July 2021, International Association of Physical Chemists (IAPC)

    Dr Miguel Ángel Cabrera-Pérez

  4. A Novel Automated Framework for QSAR Modeling of Highly Imbalanced Leishmania High-Throughput Screening Data

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

    Dr Miguel Ángel Cabrera-Pérez

  5. ICH Guideline for Biopharmaceutics Classification System-Based Biowaiver (M9): Toward Harmonization in Latin American Countries

    Article • Pharmaceutics, March 2021, MDPI AG

    Dr Miguel Ángel Cabrera-Pérez

  6. Policy of Multisource Drug Products in Latin America: Opportunities and Challenges on the Application of Bioequivalence In Vitro Assays

    Article • Therapeutic Innovation & Regulatory Science, June 2020, Springer Science + Business Media

    Dr Miguel Ángel Cabrera-Pérez

  7. ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability

    Article • Journal of Chemical Information and Modeling, May 2020, American Chemical Society (ACS)

    Dr Miguel Ángel Cabrera-Pérez

  8. Equilibrium solubility using shake-flask method of JM-20: a synthetic molecule with neuroprotective action

    Article • Journal of Pharmacy & Pharmacognosy Research, January 2020, Garval Editorial Ltda.

    Dr Miguel Ángel Cabrera-Pérez

  9. In Silico Assessment of ADME Properties: Advances in Caco-2 Cell Monolayer Permeability Modeling

    Article • Current Topics in Medicinal Chemistry, January 2019, Bentham Science Publishers

    Assoc. Prof. Dr Hai Pham-The, Dr Huong Le-Thi-Thu, Dr Miguel Ángel Cabrera-Pérez, Nguyen Hai Nam, Juan Castillo-Garit

  10. Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

    Article • Biopharmaceutics & Drug Disposition, July 2018, Wiley

    Dr Miguel Ángel Cabrera-Pérez, Assoc. Prof. Dr Hai Pham-The

  11. Computational modeling of human oral bioavailability: what will be next?

    Article • Expert Opinion on Drug Discovery, April 2018, Taylor & Francis

    Assoc. Prof. Dr Hai Pham-The, Dr Miguel Ángel Cabrera-Pérez

  12. Biowaiver or Bioequivalence: Ambiguity in Sildenafil Citrate BCS Classification

    Article • AAPS PharmSciTech, March 2018, American Association of Pharmaceutical Scientists (AAPS)

    Dr Miguel Ángel Cabrera-Pérez

  13. Importance and applications of cell- and tissue-based in vitro models for drug permeability screening in early stages of drug development

    Article • January 2016, Elsevier

    Marival Bermejo Sanz, Dr Miguel Ángel Cabrera-Pérez

  14. Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling

    Article • Molecular Diversity, December 2015, Springer Science + Business Media

    Marival Bermejo Sanz, Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Dr Miguel Ángel Cabrera-Pérez

  15. The efficacy of 2-nitrovinylfuran derivatives againstLeishmania in vitro and in vivo

    Article • Memórias do Instituto Oswaldo Cruz, April 2015, FapUNIFESP (SciELO)

    Dr Miguel Ángel Cabrera-Pérez

  16. Bacterial FabH: Towards the Discovery of New Broad-Spectrum Antibiotics

    Article • July 2014, Bentham Science Publishers

    Dr Miguel Ángel Cabrera-Pérez

  17. Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

    Article • Molecular Diversity, March 2014, Springer Science + Business Media

    Dr Miguel Ángel Cabrera-Pérez

  18. Provisional Classification andin SilicoStudy of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

    Article • Molecular Pharmaceutics, June 2013, American Chemical Society (ACS)

    Marival Bermejo Sanz, Assoc. Prof. Dr Hai Pham-The, Dr Miguel Ángel Cabrera-Pérez

  19. The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability

    Article • Molecular Informatics, May 2013, Wiley

    Marival Bermejo Sanz, Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Dr Miguel Ángel Cabrera-Pérez

  20. Thermodynamic computational approach to capture molecular recognition in the binding of different inhibitors to the DNA gyrase B subunit from Escherichia coli

    Article • Journal of Molecular Modeling, April 2013, Springer Science + Business Media

    Dr Miguel Ángel Cabrera-Pérez

  21. FDA-approved Drugs Selected Using Virtual Screening Bind Specifically to G-quadruplex DNA

    Article • Current Pharmaceutical Design, February 2013, Bentham Science Publishers

    Dr Miguel Ángel Cabrera-Pérez

  22. GA(M)E-QSAR: A Novel, Fully Automatic Genetic-Algorithm-(Meta)-Ensembles Approach for Binary Classification in Ligand-Based Drug Design

    Article • Journal of Chemical Information and Computer Sciences, August 2012, American Chemical Society (ACS)

    Dr Miguel Ángel Cabrera-Pérez

  23. Computational and Pharmacoinformatic Approaches to Oral Bioavailability Prediction

    Article • July 2011, Wiley

    Dr Miguel Ángel Cabrera-Pérez

  24. Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives

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

    Dr Miguel Ángel Cabrera-Pérez

  25. Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling

    Article • Journal of Computer-Aided Molecular Design, April 2011, Springer Science + Business Media

    Dr Miguel Ángel Cabrera-Pérez

  26. In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach

    Article • Molecular Informatics, March 2011, Wiley

    Marival Bermejo Sanz, Assoc. Prof. Dr Hai Pham-The, Dr Miguel Ángel Cabrera-Pérez

  27. Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation

    Article • Journal of Molecular Graphics and Modelling, February 2011, Elsevier

    Dr Miguel Ángel Cabrera-Pérez

  28. Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure

    Article • European Journal of Medicinal Chemistry, December 2009, Elsevier

    Dr Miguel Ángel Cabrera-Pérez

  29. Telomerase Inhibitory Activity of Acridinic Derivatives: A 3D-QSAR Approach

    Article • Quantitative Structure-Activity Relationships, May 2009, Wiley

    Dr Miguel Ángel Cabrera-Pérez

  30. Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues

    Article • Chemometrics and Intelligent Laboratory Systems, December 2008, Elsevier

    IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

  31. Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds☆Species: Rat; Sex: Male; Route of administration: Water

    Article • Toxicology and Applied Pharmacology, September 2008, Elsevier

    Dr Miguel Ángel Cabrera-Pérez, M. Natalia D. S. Cordeiro

  32. QSAR modeling of the rodent carcinogenicity of nitrocompounds

    Article • Bioorganic & Medicinal Chemistry, March 2008, Elsevier

    Dr Miguel Ángel Cabrera-Pérez, M. Natalia D. S. Cordeiro

  33. Quantitative Structure−Carcinogenicity Relationship for Detecting Structural Alerts in Nitroso Compounds: Species, Rat; Sex, Female; Route of Administration, Gavage

    Article • Chemical Research in Toxicology, March 2008, American Chemical Society (ACS)

    Dr Miguel Ángel Cabrera-Pérez, M. Natalia D. S. Cordeiro

  34. Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds

    Article • Toxicology and Applied Pharmacology, June 2007, Elsevier

    Dr Miguel Ángel Cabrera-Pérez, M. Natalia D. S. Cordeiro

  35. Application of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential

    Article • Chemometrics and Intelligent Laboratory Systems, April 2006, Elsevier

    Dr Miguel Ángel Cabrera-Pérez, M. Natalia D. S. Cordeiro

  36. A topological substructural approach for the prediction of P-glycoprotein substrates

    Article • Journal of Pharmaceutical Sciences, March 2006, Elsevier

    Marival Bermejo Sanz, Dr Miguel Ángel Cabrera-Pérez

  37. Quantitative structure activity relationship for the computational prediction of nitrocompounds carcinogenicity

    Article • Toxicology, March 2006, Elsevier

    Dr Miguel Ángel Cabrera-Pérez

  38. A radial-distribution-function approach for predicting rodent carcinogenicity

    Article • Journal of Molecular Modeling, January 2006, Springer Science + Business Media

    Dr Miguel Ángel Cabrera-Pérez

  39. The Prediction of Carcinogenicity from Molecular Structure

    Article • Current Computer - Aided Drug Design, July 2005, Bentham Science Publishers

    Dr Miguel Ángel Cabrera-Pérez

  40. A topological substructural approach applied to the computational prediction of rodent carcinogenicity

    Article • Bioorganic & Medicinal Chemistry, April 2005, Elsevier

    IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

  41. Quantitative structure–activity relationship to predict toxicological properties of benzene derivative compounds

    Article • Bioorganic & Medicinal Chemistry, March 2005, Elsevier

    Dr Miguel Ángel Cabrera-Pérez

  42. Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species:

    Article • Bioorganic & Medicinal Chemistry Letters, February 2005, Elsevier

    IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

  43. Computational method to predict human intestinal absorption

    Article • European Journal of Medicinal Chemistry, November 2004, Elsevier

    IKERBASQUE Professor Humberto González-Díaz, Marival Bermejo Sanz, Dr Miguel Ángel Cabrera-Pérez

  44. In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS–MODE approach

    Article • Bioorganic & Medicinal Chemistry, November 2004, Elsevier

    Marival Bermejo Sanz, Dr Miguel Ángel Cabrera-Pérez

  45. TOPS‐MODE Approach for the Prediction of Blood–Brain Barrier Permeation

    Article • Journal of Pharmaceutical Sciences, July 2004, Elsevier

    Marival Bermejo Sanz, Dr Miguel Ángel Cabrera-Pérez

  46. A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis

    Article • Bioorganic & Medicinal Chemistry, February 2004, Elsevier

    Dr Miguel Ángel Cabrera-Pérez

  47. 3D-MEDNEs:  An Alternative “In Silico” Technique for Chemical Research in Toxicology. 1. Prediction of Chemically Induced Agranulocytosis

    Article • Chemical Research in Toxicology, October 2003, American Chemical Society (ACS)

    IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

  48. Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds

    Article • Journal of Molecular Modeling, September 2003, Springer Science + Business Media

    Juan Castillo-Garit, Dr Miguel Ángel Cabrera-Pérez

  49. A topological-substructural molecular design (TOPS-MODE) approach to determining pharmacokinetics and pharmacological properties of 6-fluoroquinolone derivatives

    Article • European Journal of Pharmaceutics and Biopharmaceutics, September 2003, Elsevier

    Dr Miguel Ángel Cabrera-Pérez

  50. Total and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs

    Article • International Journal of Molecular Sciences, August 2003, MDPI AG

    Dr Miguel Ángel Cabrera-Pérez

  51. TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New Herbicides

    Article • Journal of Chemical Information and Computer Sciences, June 2003, American Chemical Society (ACS)

    Dr Miguel Ángel Cabrera-Pérez