All Stories

  1. A Pipeline Protocol to Design, Discover and Research on Peptide Inhibitors and Binding Sites for Neglected Tropical Diseases: An Application for Leishmaniasis

    Article • Journal of the Brazilian Chemical Society, January 2025, Sociedade Brasileira de Quimica (SBQ)

    Master Simone Queiroz Pantaleão

  2. Magre‑II: Predicting Aggregation Region in Proteins with Machine Learning, Based on Tertiary Structure

    Article • Journal of the Brazilian Chemical Society, January 2025, Sociedade Brasileira de Quimica (SBQ)

    Master Simone Queiroz Pantaleão

  3. MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling

    Article • Journal of Computer-Aided Molecular Design, October 2023, Springer Science + Business Media

    Master Simone Queiroz Pantaleão

  4. HCMV IL-10 homologues

    Article • PLOS One, November 2022, PLOS

    Maria Cristina Carlan da Silva, Master Simone Queiroz Pantaleão

  5. Relationship between Hormonal Modulation and Gastroprotective Activity of Malvidin and Cyanidin Chloride: In Vivo and In Silico Approach

    Article • Pharmaceutics, March 2022, MDPI AG

    Master Simone Queiroz Pantaleão

  6. Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors

    Article • Biochimie, March 2022, Elsevier

    Master Simone Queiroz Pantaleão

  7. O que fazem os cientistas: textos de divulgação científica para o ensino e a aprendizagem de Ciências

    Article • February 2022, Editora Fi

    Master Simone Queiroz Pantaleão

  8. Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review

    Article • ChemMedChem, November 2021, Wiley

    Master Simone Queiroz Pantaleão

  9. Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein

    Article • Frontiers in Chemistry, April 2020, Frontiers

    Master Simone Queiroz Pantaleão

  10. Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase- 4 (DPP-4)

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

    Master Simone Queiroz Pantaleão

  11. In silico studies on the interaction between bioactive ligands and DPP-IV: insights on potential candidates for the treatment of type 2 diabetes mellitus

    Article • Medicinal Chemistry, January 2020, Bentham Science Publishers

    Master Simone Queiroz Pantaleão

  12. Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands

    Article • Molecules, February 2018, MDPI AG

    Master Simone Queiroz Pantaleão

  13. The Role of QSAR and Virtual Screening Studies in Type 2 Diabetes Drug Discovery

    Article • Medicinal Chemistry, November 2017, Bentham Science Publishers

    Master Simone Queiroz Pantaleão

  14. Molecular docking studies and 2D analyses of DPP-4 inhibitors as candidates in the treatment of diabetes

    Article • Molecular BioSystems, January 2015, Royal Society of Chemistry

    Master Simone Queiroz Pantaleão