All Stories

  1. Nanoinformatics: Artificial Intelligence and Nanotechnology in the New Decade

    Article • Combinatorial Chemistry & High Throughput Screening, March 2020, Bentham Science Publishers

    Dr Antreas Afantitis

  2. MS-275 Chemical Analogues Promote Hemoglobin Production and Erythroid Differentiation of K562 Cells

    Article • Hemoglobin, March 2019, Taylor & Francis

    Dr Antreas Afantitis, Dr Georgia Melagraki, Panayiotis Koutentis

  3. A nanoinformatics decision support tool for the virtual screening of gold nanoparticle cellular association using protein corona fingerprints

    Article • Nanotoxicology, September 2018, Taylor & Francis

    Dr Antreas Afantitis, Dr Georgia Melagraki, Prof. Iseult Lynch

  4. Current Status and Future Prospects of Small–molecule Protein–protein Interaction (PPI) Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)

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

    Dr Georgia Melagraki, thomas mavromoustakos, Dr Antreas Afantitis, Elias Eliopoulos, Dr Christos Papaneophytou

  5. Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis: A TNF-α Study

    Article • SLAS DISCOVERY, June 2017, SAGE Publications

    Dr Antreas Afantitis

  6. Searching for Novel Janus Kinase-2 Inhibitors Using a Combination of Pharmacophore Modeling, 3D-QSAR Studies and Virtual Screening

    Article • Mini-Reviews in Medicinal Chemistry, January 2017, Bentham Science Publishers

    Dr Antreas Afantitis, Dr Georgia Melagraki

  7. Development of a Predictive Pharmacophore Model and a 3D-QSAR Study for an in silico Screening of New Potent Bcr-Abl Kinase Inhibitors

    Article • Mini-Reviews in Medicinal Chemistry, January 2017, Bentham Science Publishers

    Dr Antreas Afantitis, Dr Georgia Melagraki

  8. Computer Aided Drug Design Approaches for Identification of Novel Autotaxin (ATX) Inhibitors

    Article • Current Medicinal Chemistry, June 2016, Bentham Science Publishers

    Dr Antreas Afantitis, thomas mavromoustakos

  9. Editorial: Towards Open Access for Cheminformatics

    Article • Combinatorial Chemistry & High Throughput Screening, April 2016, Bentham Science Publishers

    Dr Antreas Afantitis

  10. Open-Source Chemoinformatics Software

    Article • January 2016, Springer Science + Business Media

    Dr Antreas Afantitis

  11. Open Source Chemoinformatics Software including KNIME Analytics Platform

    Article • January 2016, Springer Science + Business Media

    Dr Antreas Afantitis

  12. A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform

    Article • Current Topics in Medicinal Chemistry, June 2015, Bentham Science Publishers

    Dr Georgia Melagraki, Dr Antreas Afantitis

  13. Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, June 2015, Taylor & Francis

    Dr Antreas Afantitis

  14. Editorial (Thematic Issue: Advances in Cheminformatics: Drug Discovery, Computational Toxicology and Nanomaterials (Part II))

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Antreas Afantitis

  15. Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Antreas Afantitis, thomas mavromoustakos, Tahsin F Kellici, Dr Sotiris K Hadjikakou

  16. Editorial (Thematic Issue: Advances in Cheminformatics: Drug Discovery, Computational Toxicology and Nanomaterials (Part I))

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Georgia Melagraki, Dr Antreas Afantitis

  17. Meet our Editorial Board Members

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Georgia Melagraki, Dr Antreas Afantitis

  18. Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors

    Article • Methods, January 2015, Elsevier

    Dr Antreas Afantitis, thomas mavromoustakos

  19. Stability and binding effects of silver(I) complexes at lipoxygenase-1

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, November 2014, Taylor & Francis

    Dr Antreas Afantitis, Dr Sotiris K Hadjikakou

  20. Editorial

    Article • Combinatorial Chemistry & High Throughput Screening, June 2014, Bentham Science Publishers

    Dr Antreas Afantitis

  21. Antiproliferative novel isoxazoles: Modeling, virtual screening, synthesis, and bioactivity evaluation

    Article • European Journal of Medicinal Chemistry, June 2014, Elsevier

    Dr Antreas Afantitis

  22. Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Dr Georgia Melagraki, Dr Antreas Afantitis

  23. Editorial

    Article • Combinatorial Chemistry & High Throughput Screening, November 2013, Bentham Science Publishers

    Dr Antreas Afantitis

  24. Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches

    Article • Toxicology and Applied Pharmacology, October 2013, Elsevier

    Dr Antreas Afantitis

  25. Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium

    Article • Chemometrics and Intelligent Laboratory Systems, April 2013, Elsevier

    Dr Antreas Afantitis

  26. Rational design, efficient syntheses and biological evaluation of N,N′-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers

    Article • European Journal of Medicinal Chemistry, April 2013, Elsevier

    Dr Antreas Afantitis

  27. Comparative study of the AT1 receptor prodrug antagonist candesartan cilexetil with other sartans on the interactions with membrane bilayers

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, December 2012, Elsevier

    Dr Antreas Afantitis

  28. Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1

    Article • Journal of Chemical Information and Modeling, November 2012, American Chemical Society (ACS)

    Dr Sotiris K Hadjikakou, Dr Antreas Afantitis

  29. Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA

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

    Dr Antreas Afantitis

  30. Ligand and Structure Based Virtual Screening Strategies for Hit-Finding and Optimization of Hepatitis C Virus (HCV) Inhibitors

    Article • Current Medicinal Chemistry, June 2011, Bentham Science Publishers

    Dr Antreas Afantitis

  31. Ligand - based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks

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

    Dr Antreas Afantitis

  32. Functionalized 4-Hydroxy Coumarins: Novel Synthesis, Crystal Structure and DFT Calculations

    Article • Molecules, January 2011, MDPI AG

    Dr Antreas Afantitis

  33. In Silico Exploration for Identifying Structure-Activity Relationship of MEK Inhibition and Oral Bioavailability for Isothiazole Derivatives

    Article • Chemical Biology & Drug Design, October 2010, Wiley

    Dr Antreas Afantitis

  34. Collaborative development of predictive toxicology applications

    Article • Journal of Cheminformatics, August 2010, Springer Science + Business Media

    Dr Antreas Afantitis

  35. Synthesis and evaluation of the antioxidant and anti-inflammatory activity of novel coumarin-3-aminoamides and their alpha-lipoic acid adducts

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

    Dr Antreas Afantitis

  36. A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogs

    Article • Molecular Diversity, May 2009, Springer Science + Business Media

    Dr Antreas Afantitis

  37. Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors

    Article • Molecular Diversity, February 2009, Springer Science + Business Media

    Dr Antreas Afantitis

  38. A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas

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

    Dr Antreas Afantitis

  39. Development and Evaluation of a QSPR Model for the Prediction of Diamagnetic Susceptibility

    Article • QSAR & Combinatorial Science, April 2008, Wiley

    Dr Antreas Afantitis

  40. Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-based virtual screening optimized procedure

    Article • Bioorganic & Medicinal Chemistry, December 2007, Elsevier

    Dr Antreas Afantitis

  41. Design and Synthesis of Novel Quinolinone-3-aminoamides and Their α-Lipoic Acid Adducts as Antioxidant and Anti-inflammatory Agents

    Article • Journal of Medicinal Chemistry, May 2007, American Chemical Society (ACS)

    Dr Antreas Afantitis

  42. Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening

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

    Dr Antreas Afantitis

  43. A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl Aspartyl Fluoromethylketones

    Article • QSAR & Combinatorial Science, October 2006, Wiley

    Dr Antreas Afantitis

  44. A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes

    Article • Bioorganic & Medicinal Chemistry, October 2006, Elsevier

    Dr Antreas Afantitis

  45. A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis

    Article • Molecular Diversity, August 2006, Springer Science + Business Media

    Dr Antreas Afantitis

  46. A Novel RBF Neural Network Training Methodology to Predict Toxicity to Vibrio Fischeri

    Article • Molecular Diversity, June 2006, Springer Science + Business Media

    Dr Antreas Afantitis

  47. A novel QSPR model for predicting θ (lower critical solution temperature) in polymer solutions using molecular descriptors

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

    Dr Antreas Afantitis

  48. Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model

    Article • Polymer, April 2006, Elsevier

    Dr Antreas Afantitis

  49. QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices

    Article • Bioorganic & Medicinal Chemistry, February 2006, Elsevier

    Dr Antreas Afantitis

  50. Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques

    Article • Journal of Computer-Aided Molecular Design, February 2006, Springer Science + Business Media

    Dr Antreas Afantitis

  51. Prediction of toxicity using a novel RBF neural network training methodology

    Article • Journal of Molecular Modeling, November 2005, Springer Science + Business Media

    Dr Antreas Afantitis

  52. Prediction of high weight polymers glass transition temperature using RBF neural networks

    Article • Journal of Molecular Structure THEOCHEM, March 2005, Elsevier

    Dr Antreas Afantitis

  53. Novel Short-Step Synthesis of Functionalized γ-Phenyl-β-hydroxybutenoates and Their Cyclization to 4-Hydroxycoumarins via the N-Hydroxybenzotriazole Methodology.

    Article • ChemInform, January 2005, Wiley

    Dr Antreas Afantitis

  54. Novel Short-Step Synthesis of Functionalized γ-Phenyl-β-hydroxybutenoates and their Cyclization to 4-Hydroxycoumarins via the N-Hydroxybenzotriazole Methodology

    Article • Synthesis, July 2004, Thieme Publishing Group

    Dr Antreas Afantitis

  55. Development of nonlinear quantitative structure-activity relationships using rbf networks and evolutionary computing

    Article • January 2004, Elsevier

    Dr Antreas Afantitis

  56. Cyclisation of Novel Amino Oxo Esters to Tetramic Acids− Density Functional Theory Study of the Reaction Mechanism

    Article • European Journal of Organic Chemistry, December 2003, Wiley

    Dr Antreas Afantitis

  57. Quantitative Nanostructure-Activity Relationship Models for the Risk Assessment of NanoMaterials

    Article • IGI Global

    Dr Antreas Afantitis, thomas mavromoustakos