All Stories

  1. A Review of Computational Approaches Targeting SARS-CoV-2 Main Protease to the Discovery of New Potential Antiviral Compounds

    Article • Current Topics in Medicinal Chemistry, January 2023, Bentham Science Publishers

    Assoc. Prof. Dr Hai Pham-The, Juan Castillo-Garit, Dr Huong Le-Thi-Thu, Facundo Perez-Gimenez

  2. Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors

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

    Dr Huong Le-Thi-Thu, Ricardo Vivas-Reyes, Assoc. Prof. Dr Hai Pham-The

  3. Beyond model interpretability using LDA and decision trees for α‐amylase and α‐glucosidase inhibitor classification studies

    Article • Chemical Biology & Drug Design, May 2019, Wiley

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Karel Dieguez Santana

  4. Quinazolin‐4(3 H )‐one‐Based Hydroxamic Acids: Design, Synthesis and Evaluation of Histone Deacetylase Inhibitory Effects and Cytotoxicity

    Article • Chemistry & Biodiversity, March 2019, Wiley

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  5. Computational Identification of Chemical Compounds with Potential Activity against Leishmania amazonensis using Nonlinear Machine Learning Techniques

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

    Assoc. Prof. Dr Hai Pham-The, Juan Castillo-Garit, Facundo Perez-Gimenez, Dr Huong Le-Thi-Thu

  6. 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

  7. (E)-N'-Arylidene-2-(4-oxoquinazolin-4(3H)-yl) acetohydrazides: Synthesis and evaluation of antitumor cytotoxicity and caspase activation activity

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, January 2019, Taylor & Francis

    Assoc. Prof. Dr Hai Pham-The, Dr Huong Le-Thi-Thu

  8. Design, Synthesis and Evaluation of Novel 3/4-((Substituted benzamidophenoxy)methyl)-N-hydroxybenzamides / propenamides as Histone Deacetylase Inhibitors and Antitumor Agents

    Article • Anti-Cancer Agents in Medicinal Chemistry, November 2018, Bentham Science Publishers

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  9. Novel Hydroxamic Acids Incorporating 1-((1H-1,2,3-Triazol-4-yl)methyl)- 3-substituted-2-oxoindolines: Synthesis, Biological Evaluation and SAR Analysis

    Article • Medicinal Chemistry, November 2018, Bentham Science Publishers

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Nguyen Hai Nam, Mai-Dung Do Thi

  10. Quinazoline-Based Hydroxamic Acids: Design, Synthesis, and Evaluation of Histone Deacetylase Inhibitory Effects and Cytotoxicity

    Article • Chemistry & Biodiversity, June 2018, Wiley

    Assoc. Prof. Dr Hai Pham-The, Dr Huong Le-Thi-Thu, Tien-Anh Duong, Nguyen Hai Nam

  11. Novel hydroxamic acids incorporating 1-((1H-1,2,3-Triazol-4-yl)methyl)-3-hydroxyimino-indolin-2-ones: synthesis, biological evaluation, and SAR analysis

    Article • Journal of Chemical Sciences, June 2018, Springer Science + Business Media

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  12. Exploration of Some Thiazolidine-2,4-dione and 2-Oxoindoline Derivatives Incorporating 3,4,5-Trimethoxybenzyl Moiety as Novel Anticancer Agents

    Article • Letters in Drug Design & Discovery, March 2018, Bentham Science Publishers

    Dr Huong Le-Thi-Thu, Nguyen Hai Nam

  13. Learning from Multiple Classifier Systems: Perspectives for Improving Decision Making of QSAR Models in Medicinal Chemistry

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

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Juan Castillo-Garit, Karel Dieguez Santana

  14. A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents

    Article • PLoS ONE, February 2018, PLOS

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Professor Fernanda Borges, M. Natalia D. S. Cordeiro

  15. Design, synthesis and evaluation of novel N -hydroxybenzamides/ N -hydroxypropenamides incorporating quinazolin-4(3 H )-ones as histone deacetylase inhibitors and antitumor agents

    Article • Bioorganic Chemistry, February 2018, Elsevier

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  16. INTEGRATING STRUCTURE AND LIGAND-BASED APPROACHES FOR MODELLING THE HISTONE DEACETYLASE INHIBITION ACTIVITY OF HYDROXAMIC ACID DERIVATIVES

    Article • Asian Journal of Pharmaceutical and Clinical Research, February 2018, Innovare Academic Sciences Pvt Ltd

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  17. Atom based linear index descriptors in QSAR-machine learning classifiers for the prediction of ubiquitin-proteasome pathway activity

    Article • Medicinal Chemistry Research, January 2018, Springer Science + Business Media

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  18. Blood-Brain Barrier Passage Prediction Using Decision Tree

    Article • October 2017, MDPI AG

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  19. Machine learning-based models to predict modes of toxic action of phenols to Tetrahymena pyriformis

    Article • SAR and QSAR in Environmental Research, September 2017, Taylor & Francis

    Assoc. Prof. Dr Hai Pham-The, Dr Huong Le-Thi-Thu

  20. Exploration of some indole-based hydroxamic acids as histone deacetylase inhibitors and antitumor agents

    Article • Chemical Papers, April 2017, Springer Science + Business Media

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  21. Novel N -hydroxybenzamides incorporating 2-oxoindoline with unexpected potent histone deacetylase inhibitory effects and antitumor cytotoxicity

    Article • Bioorganic Chemistry, April 2017, Elsevier

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  22. Dry selection and wet evaluation for the rational discovery of new anthelmintics

    Article • Molecular Physics, March 2017, Taylor & Francis

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Juan Castillo-Garit

  23. Quantitative structure–activity relationship analysis and virtual screening studies for identifying HDAC2 inhibitors from known HDAC bioactive chemical libraries

    Article • SAR and QSAR in Environmental Research, February 2017, Taylor & Francis

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Karel Dieguez Santana

  24. A Simple Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Classification Trees

    Article • Medicinal Chemistry, February 2017, Bentham Science Publishers

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Juan Castillo-Garit

  25. Prediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database

    Article • Chemosphere, December 2016, Elsevier

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Karel Dieguez Santana, Juan Castillo-Garit

  26. Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative

    Article • Current Pharmaceutical Design, November 2016, Bentham Science Publishers

    Dr Huong Le-Thi-Thu

  27. Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms

    Article • International Journal of Molecular Sciences, May 2016, MDPI AG

    Dr Huong Le-Thi-Thu

  28. Multi-output Model with Box-Jenkins Operators of Quadratic Indices for Prediction of Malaria and Cancer Inhibitors Targeting Ubiquitin- Proteasome Pathway (UPP) Proteins

    Article • Current Protein and Peptide Science, March 2016, Bentham Science Publishers

    Dr Huong Le-Thi-Thu

  29. 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

  30. Machine Learning and Atom-Based Quadratic Indices for Proteasome Inhibition Prediction

    Article • December 2015, MDPI AG

    Dr Huong Le-Thi-Thu

  31. Towards computational prediction of Biopharmaceutics Classification System: a QSPR approach

    Article • December 2015, MDPI AG

    Assoc. Prof. Dr Hai Pham-The, Dr Huong Le-Thi-Thu

  32. Multi-Criteria Decision Making: the Best Choice for the Modeling of Chemicals against Hyper-Pigmentation?

    Article • Current Bioinformatics, November 2015, Bentham Science Publishers

    Dr Bui Thanh Tung, Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The

  33. Optimum Search Strategies or Novel 3D Molecular Descriptors: is there a Stalemate?

    Article • Current Bioinformatics, November 2015, Bentham Science Publishers

    Dr Huong Le-Thi-Thu

  34. Prediction of Caco-2 Cell Permeability Using Bilinear Indices and Multiple Linear Regression

    Article • Letters in Drug Design & Discovery, November 2015, Bentham Science Publishers

    Juan Castillo-Garit, Dr Huong Le-Thi-Thu

  35. Novel 3-substituted-2-oxoindoline-based N-hydroxypropenamides as Histone Deacetylase Inhibitors and Antitumor Agents

    Article • Medicinal Chemistry, October 2015, Bentham Science Publishers

    Dr Huong Le-Thi-Thu, Assoc. Prof. Dr Hai Pham-The, Nguyen Hai Nam

  36. Organ and tissue-dependent effect of resveratrol and exercise on antioxidant defenses of old mice

    Article • Aging Clinical and Experimental Research, May 2015, Springer Science + Business Media

    Dr Bui Thanh Tung, PhD. Guillermo Lopez-Lluch, Dr Huong Le-Thi-Thu

  37. Towards Better BBB Passage Prediction Using an Extensive and Curated Data Set

    Article • Molecular Informatics, May 2015, Wiley

    Dr Huong Le-Thi-Thu

  38. Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway

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

    IKERBASQUE Professor Humberto González-Díaz, Dr Huong Le-Thi-Thu

  39. Protective effect of Tetracera scandens L. leaf extract against CCl4-induced acute liver injury in rats

    Article • Asian Pacific Journal of Tropical Biomedicine, March 2015, Elsevier

    Dr Bui Thanh Tung, Dr Huong Le-Thi-Thu

  40. Analysis of Proteasome Inhibition Prediction Using Atom-Based Quadratic Indices Enhanced by Machine Learning Classification Techniques

    Article • Letters in Drug Design & Discovery, May 2014, Bentham Science Publishers

    Dr Huong Le-Thi-Thu

  41. Tyrosinase Enzyme: 1. An Overview on a Pharmacological Target

    Article • Current Topics in Medicinal Chemistry, May 2014, Bentham Science Publishers

    Dr Huong Le-Thi-Thu, Juan Castillo-Garit

  42. A Rational Workflow for Sequential Virtual Screening of Chemical Libraries on Searching for New Tyrosinase Inhibitors

    Article • Current Topics in Medicinal Chemistry, May 2014, Bentham Science Publishers

    Dr Huong Le-Thi-Thu

  43. 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

  44. Comparative study to predict toxic modes of action of phenols from molecular structures

    Article • SAR and QSAR in Environmental Research, March 2013, Taylor & Francis

    Dr Huong Le-Thi-Thu, Juan Castillo-Garit

  45. Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices

    Article • International Journal of Chemoinformatics and Chemical Engineering, June 2012, IGI Global

    Dr Huong Le-Thi-Thu

  46. A Comparative Study of Nonlinear Machine Learning for the “In Silico” Depiction of Tyrosinase Inhibitory Activity from Molecular Structure

    Article • Molecular Informatics, May 2011, Wiley

    Dr Huong Le-Thi-Thu

  47. QSAR models for tyrosinase inhibitory activity description applying modern statistical classification techniques: A comparative study

    Article • Chemometrics and Intelligent Laboratory Systems, December 2010, Elsevier

    Dr Huong Le-Thi-Thu

  48. Novel coumarin-based tyrosinase inhibitors discovered by OECD principles-validated QSAR approach from an enlarged, balanced database

    Article • Molecular Diversity, September 2010, Springer Science + Business Media

    Dr Huong Le-Thi-Thu, Professor Luciano Saso

  49. Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices

    Article • IGI Global

    Dr Huong Le-Thi-Thu