All Stories

  1. Anticancer activity features of imidazole-based ionic liquids and lysosomotropic detergents: in silico and in vitro studies

    Article • Molecular Diversity, January 2024, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  2. In Silico, in Vitro and in Vivo Study of Substituted Imidazolidinone Sulfonamides as Antibacterial Agents

    Article • Chemistry & Biodiversity, November 2023, Wiley

    Dr. Vasyl Kovalishyn

  3. In vitro activity of novel 4-iminohydantoin sulfamide derivatives against human cytomegalovirus

    Article • Chemical Papers, September 2023, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  4. Quinoline Hydrazone Derivatives as New Antibacterials against Multidrug Resistant Strains

    Article • Chemistry & Biodiversity, August 2023, Wiley

    Dr. Vasyl Kovalishyn

  5. Structure–Activity Relationship Prediction‐Based Synthesis and Cytotoxicity Evaluation against the HEp‐2 Laryngeal Carcinoma Cell of Isoflavone–Cytisine Mannich Bases

    Article • Chemistry & Biodiversity, August 2023, Wiley

    Dr. Vasyl Kovalishyn

  6. Design and experimental validation of the oxazole and thiazole derivatives as potential antivirals against of human cytomegalovirus

    Article • SAR and QSAR in Environmental Research, July 2023, Taylor & Francis

    Dr. Vasyl Kovalishyn

  7. In Silico Design and Experimental Validation of Novel Oxazole Derivatives Against Varicella zoster virus

    Article • Molecular Biotechnology, January 2023, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  8. Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii

    Article • Antibiotics, April 2022, MDPI AG

    Dr. Vasyl Kovalishyn

  9. Cytisine derivatives as new anti-Escherichia coli agents: in silico and in vitro studies

    Article • Ukrainica Bioorganica Acta, December 2021, National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)

    Dr. Vasyl Kovalishyn

  10. Design of new imidazole derivatives with anti-HCMV activity: QSAR modeling, synthesis and biological testing

    Article • Journal of Computer-Aided Molecular Design, November 2021, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  11. Synthesis, QSAR modeling, and molecular docking of novel fused 7‐deazaxanthine derivatives as adenosine A2A receptor antagonists

    Article • Chemical Biology & Drug Design, October 2021, Wiley

    Dr. Vasyl Kovalishyn

  12. Ester-Functionalized Imidazolium- and Pyridinium-Based Ionic Liquids: Design, Synthesis and Cytotoxicity Evaluation

    Article • Biointerface Research in Applied Chemistry, August 2021, AMG Transcend Association

    Dr. Vasyl Kovalishyn

  13. In silico and in vitro Studies of Imidazolium Ionic Liquids as Effective Antibacterial Agents against Multidrug Resistant Escherichia coli Strains

    Article • Current Bioactive Compounds, April 2021, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  14. Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii and Staphylococcus aureus

    Article • International Journal of Molecular Sciences, January 2021, MDPI AG

    Dr. Vasyl Kovalishyn

  15. Hybrid Design of Isonicotinic Acid Hydrazide Derivatives: Machine Learning Studies, Synthesis and Biological Evaluation of their Antituberculosis Activity

    Article • Current Drug Discovery Technologies, July 2020, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  16. Design of (quinolin-4-ylthio)carboxylic acids as new Escherichia coli DNA gyrase B inhibitors: machine learning studies, molecular docking, synthesis and biological testing

    Article • Computational Biology and Chemistry, April 2020, Elsevier

    Dr. Vasyl Kovalishyn

  17. In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii

    Article • Chemical Biology & Drug Design, March 2020, Wiley

    Dr. Vasyl Kovalishyn

  18. A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids

    Article • Journal of Hazardous Materials, February 2020, Elsevier

    Dr. Vasyl Kovalishyn

  19. New anti-candida active nitrogen-containing bisphosphonates as inhibitors of farnesyl pyrophosphate synthase Candida albicans

    Article • The Ukrainian Biochemical Journal, May 2019, National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)

    Dr. Vasyl Kovalishyn

  20. New 1,3-oxazolylphosphonium Salts as Potential Biocides: QSAR Study, Synthesis, Antibacterial Activity and Toxicity Evaluation

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

    Dr. Vasyl Kovalishyn

  21. Design, synthesis and evaluation of novel sulfonamides as potential anticancer agents

    Article • Computational Biology and Chemistry, June 2018, Elsevier

    Dr. Vasyl Kovalishyn

  22. Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing

    Article • Chemical Biology & Drug Design, May 2018, Wiley

    Dr. Vasyl Kovalishyn

  23. QSAR study of some 1,3-oxazolylphosphonium derivatives as new potent anti-Candida agents and their toxicity evaluation

    Article • Current Drug Discovery Technologies, April 2018, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  24. The Quantum Chemical and QSAR Studies on Acinetobacter Baumannii Oxphos Inhibitors

    Article • Medicinal Chemistry, April 2018, Bentham Science Publishers

    Hakan Sayiner, Dr. Vasyl Kovalishyn

  25. Imidazolium ionic liquids as effective antiseptics and disinfectants against drug resistant S. aureus : In silico and in vitro studies

    Article • Computational Biology and Chemistry, April 2018, Elsevier

    Dr. Vasyl Kovalishyn

  26. Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform

    Article • Food and Chemical Toxicology, February 2018, Elsevier

    Dr. Vasyl Kovalishyn

  27. Synthesis and Biological Evaluation of Hybrid 1,5- and 2,5-Disubstituted Indoles as Potentially New Antitubercular Agents

    Article • Medicinal Chemistry, July 2017, Bentham Science Publishers

    Professor Miguel Viveiros, Dr. Vasyl Kovalishyn, Dr Maria M B Marques, Filomena Martins

  28. 1,3-Oxazole derivatives as potential anticancer agents: Computer modeling and experimental study

    Article • Computational Biology and Chemistry, December 2016, Elsevier

    Dr. Vasyl Kovalishyn

  29. QSAR studies, synthesis and antibacterial assessment of new inhibitors against multidrug-resistant Mycobacterium tuberculosis

    Article • Current Drug Discovery Technologies, November 2016, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  30. QSAR studies and antimicrobial potential of 1,3-thiazolylphosphonium salts

    Article • The Ukrainian Biochemical Journal, August 2016, Co. Ltd. Ukrinformnauka

    Dr. Vasyl Kovalishyn

  31. Imidazolium Ionic Liquids as Potential Anti-Candida Inhibitors: QSAR Modeling and Experimental Studies

    Article • Current Drug Discovery Technologies, June 2016, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  32. Antibacterial Activity of Imidazolium-Based Ionic Liquids Investigated by QSAR Modeling and Experimental Studies

    Article • Chemical Biology & Drug Design, May 2016, Wiley

    Dr. Vasyl Kovalishyn

  33. Development of nanostructure–activity relationships assisting the nanomaterial hazard categorization for risk assessment and regulatory decision-making

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr. Vasyl Kovalishyn

  34. Efficient variable selection batch pruning algorithm for artificial neural networks

    Article • Chemometrics and Intelligent Laboratory Systems, December 2015, Elsevier

    Dr. Vasyl Kovalishyn

  35. Prediction of Thrombin and Factor Xa Inhibitory Activity with Associative Neural Networks

    Article • Current Computer - Aided Drug Design, March 2015, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  36. Design, synthesis and biological evaluation of novel isoniazid derivatives with potent antitubercular activity

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

    Professor Miguel Viveiros, Dr. Vasyl Kovalishyn

  37. Design and Synthesis of New Potent Inhibitors of Farnesyl Pyrophosphate Synthase

    Article • Current Drug Discovery Technologies, May 2014, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  38. QSAR Studies, Design, Synthesis and Antimicrobial Evaluation of Azole Derivatives

    Article • Computational Biology and Bioinformatics, January 2014, Science Publishing Group

    Dr. Vasyl Kovalishyn

  39. Predictive QSAR modeling of phosphodiesterase 4 inhibitors

    Article • Journal of Molecular Graphics and Modelling, February 2012, Elsevier

    Dr. Vasyl Kovalishyn

  40. QSAR modeling of antitubercular activity of diverse organic compounds

    Article • Chemometrics and Intelligent Laboratory Systems, May 2011, Elsevier

    Dr. Vasyl Kovalishyn

  41. Applicability domain for in silico models to achieve accuracy of experimental measurements

    Article • Journal of Chemometrics, April 2010, Wiley

    Dr. Vasyl Kovalishyn

  42. ETM-ANN Approach Application for Thiobenzamide and Quinolizidine Derivatives

    Article • Journal of Biomedicine and Biotechnology, January 2010, Hindawi Publishing Corporation

    Professor Eno E Ebenso, Dr. Vasyl Kovalishyn

  43. Electron-Topological Method of the Non-Nucleoside HIV-1 RT Inhibitors Study: Structure-Activity Relationships

    Article • Current HIV Research, September 2007, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  44. Synthesis and structure–antituberculosis activity relationship of 1H-indole-2,3-dione derivatives

    Article • Bioorganic & Medicinal Chemistry, September 2007, Elsevier

    Dr. Vasyl Kovalishyn

  45. Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens

    Article • Journal of Molecular Graphics and Modelling, September 2007, Elsevier

    Dr. Vasyl Kovalishyn

  46. Synthesis and structure–antibacterial activity relationship investigation of isomeric 2,3,5-substituted perhydropyrrolo[3,4-d]isoxazole-4,6-diones

    Article • Bioorganic & Medicinal Chemistry, March 2007, Elsevier

    Dr. Vasyl Kovalishyn

  47. Investigation of the physical and rheological properties of SBR-1712 rubber compounds by neural network approaches

    Article • Materials & Design (1980-2015), January 2007, Elsevier

    Dr. Vasyl Kovalishyn

  48. Combined electronic-topological and neural networks study of some hydroxysemicarbazides as potential antitumor agents

    Article • Journal of Molecular Graphics and Modelling, September 2006, Elsevier

    Dr. Vasyl Kovalishyn

  49. The Structure - Antituberculosis Activity Relationships Study in a Series of 5-(4-Aminophenyl)-4-Substituted-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione Derivatives. A Combined Electronic-Topological and Neural Networks Approach

    Article • Medicinal Chemistry, July 2006, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  50. The Structure - Inhibitory Activity Relationships Study in a Series of Cyclooxygenase-2 Inhibitors: A Combined Electronic-Topological and Neural Networks Approach

    Article • Mini-Reviews in Medicinal Chemistry, October 2005, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  51. Human Acetylcholinesterase Inhibitors: Electronic-Topological and Neural Network Approaches to the Structure-Activity Relationships Study

    Article • Mini-Reviews in Medicinal Chemistry, May 2005, Bentham Science Publishers

    Dr. Vasyl Kovalishyn

  52. Application of artificial neural networks for the prediction of sulfur polycyclic aromatic compounds retention indices

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

    Dr. Vasyl Kovalishyn

  53. Volume Learning Algorithm Artificial Neural Networks for 3D QSAR Studies

    Article • Journal of Medicinal Chemistry, July 2001, American Chemical Society (ACS)

    Dr. Vasyl Kovalishyn

  54. Article • Pharmaceutical Chemistry Journal, January 2001, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  55. Article • Russian Journal of Bioorganic Chemistry, January 2001, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  56. Application of Self-Organizing Neural Networks with Active Neurons for QSAR Studies

    Article • January 2000, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  57. Variable Selection in the Cascade-Correlation Learning Architecture

    Article • January 2000, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  58. Neural Network Studies. 3. Variable Selection in the Cascade-Correlation Learning Architecture

    Article • Journal of Chemical Information and Computer Sciences, July 1998, American Chemical Society (ACS)

    Dr. Vasyl Kovalishyn