All Stories

  1. In vitro Selective Effect of Imidazole Derivatives as Inhibitors of Human Laryngeal Carcinoma

    Article • Bioactivities, December 2025, Pandawa Institute

    Dr. Vasyl Kovalishyn

  2. Article • SynOpen, October 2025, Thieme Publishing Group

    Dr. Vasyl Kovalishyn

  3. Ionic liquids and lysosomotropic detergents as inhibitors of the SARS-CoV-2 main protease: QSAR modeling, synthesis and biological testing

    Article • Biochemical and Biophysical Research Communications, September 2025, Elsevier

    Dr. Vasyl Kovalishyn

  4. Acute Toxicity of Quinoline Derivatives as Antibacterial Drug Candidates: In Silico and In Vivo Studies

    Article • Bioactivities, June 2025, Pandawa Institute

    Dr. Vasyl Kovalishyn

  5. In silico modeling and experimental validation of 2-oxoimidazolidin-4-sulfonamides as low-toxicity fungicides against Phytophthora infestans

    Article • Advanced Agrochem, June 2025, Elsevier

    Dr. Vasyl Kovalishyn

  6. In Silico and In Vitro Studies of 1,3‐Oxazol‐4‐yl Phosphonium Salts as Dual‐Functional Antibacterial and Anticancer Agents

    Article • ChemistrySelect, May 2025, Wiley

    Dr. Vasyl Kovalishyn

  7. Trifluoroacetyl-Substituted Quinolones as New Antibacterials Against Antibiotic Resistant Strains

    Article • Letters in Applied NanoBioScience, March 2025, AMG Transcend Association

    Dr. Vasyl Kovalishyn

  8. Використання QSAR моделей для пошуку інгібіторів тубуліну в ряду похідних 1,3-оксазолу

    Article • Reports of the National Academy of Sciences of Ukraine, March 2025, National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)

    Dr. Vasyl Kovalishyn

  9. Antifungal Activity and Cytotoxicity of Imidazole- and Morpholine-Based Lysosomotropic Detergents

    Article • Innovative Biosystems and Bioengineering, March 2025, Kyiv Politechnic Institute

    Dr. Vasyl Kovalishyn

  10. Development of Multi-Task QSTR Models for Acute Toxicity Prediction Towards Daphnia Magna Using Machine Learning in the OCHEM Platform

    Article • Medinformatics, February 2025, BON VIEW PUBLISHING PTE

    Dr. Vasyl Kovalishyn

  11. EVALUATION OF ANTIOXIDANT ACTIVITY OF LONG-CHAIN ESTER-FUNCTIONALIZED IMIDAZOLIUM SALTS

    Article • December 2024, European Scientific Platform Publishing

    Dr. Vasyl Kovalishyn

  12. In Silico Design and In Vitro Assessment of Bicyclic Trifluoromethylated Pyrroles as New Antibacterial and Antifungal Agents

    Article • Chemistry & Biodiversity, July 2024, Wiley

    Dr. Vasyl Kovalishyn

  13. 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

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

    Article • Chemistry & Biodiversity, November 2023, Wiley

    Dr. Vasyl Kovalishyn

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

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

    Dr. Vasyl Kovalishyn

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

    Article • Chemistry & Biodiversity, August 2023, Wiley

    Dr. Vasyl Kovalishyn

  17. 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

  18. 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

  19. 5-AMINO-4-CYANO-1,3-OXAZOLES AS NEW ANTIBACTERIALS AGAINST ANTIBIOTIC-RESISTANT ESCHERICHIA COLI STRAINS

    Article • May 2023, European Scientific Platform Publishing

    Dr. Vasyl Kovalishyn

  20. 2(4)-ГІДРАЗИНОХІНОЛІНИ ЯК ПОТЕНЦІЙНІ АНТИБАКТЕРІАЛЬНІ ПРЕПАРАТИ

    Article • March 2023, European Scientific Platform Publishing

    Dr. Vasyl Kovalishyn

  21. 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

  22. Isoxazole-containing sulfanilamides as new antibacterial agents: in silico study, synthesis and in vitro evaluation

    Article • Ukrainica Bioorganica Acta, December 2022, National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)

    Dr. Vasyl Kovalishyn

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

    Article • Antibiotics, April 2022, MDPI AG

    Dr. Vasyl Kovalishyn

  24. 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

  25. 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

  26. 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

  27. 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

  28. 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

  29. 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

  30. 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

  31. 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

  32. 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

  33. 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

  34. 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

  35. 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

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

    Article • Computational Biology and Chemistry, June 2018, Elsevier

    Dr. Vasyl Kovalishyn

  37. 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

  38. 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

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

    Article • Medicinal Chemistry, April 2018, Bentham Science Publishers

    Hakan Sayiner, Dr. Vasyl Kovalishyn

  40. 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

  41. 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

  42. 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

  43. 1,3-Oxazole derivatives as potential anticancer agents: Computer modeling and experimental study

    Article • Computational Biology and Chemistry, December 2016, Elsevier

    Dr. Vasyl Kovalishyn

  44. 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

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

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

    Dr. Vasyl Kovalishyn

  46. 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

  47. 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

  48. 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

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

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

    Dr. Vasyl Kovalishyn

  50. New derivatives of isonicotinic acid hydraside as potential antitubercular agents

    Article • Journal of organic and pharmaceutical chemistry, March 2015, National University of Pharmacy

    Dr. Vasyl Kovalishyn

  51. 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

  52. 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

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

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

    Dr. Vasyl Kovalishyn

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

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

    Dr. Vasyl Kovalishyn

  55. Predictive QSAR modeling of phosphodiesterase 4 inhibitors

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

    Dr. Vasyl Kovalishyn

  56. QSAR modeling of antitubercular activity of diverse organic compounds

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

    Dr. Vasyl Kovalishyn

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

    Article • Journal of Chemometrics, April 2010, Wiley

    Dr. Vasyl Kovalishyn

  58. 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

  59. 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

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

    Article • Bioorganic & Medicinal Chemistry, September 2007, Elsevier

    Dr. Vasyl Kovalishyn

  61. 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

  62. 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

  63. 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

  64. 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

  65. 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

  66. 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

  67. 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

  68. 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

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

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

    Dr. Vasyl Kovalishyn

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

    Dr. Vasyl Kovalishyn

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

    Dr. Vasyl Kovalishyn

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

    Article • January 2000, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

  73. Variable Selection in the Cascade-Correlation Learning Architecture

    Article • January 2000, Springer Science + Business Media

    Dr. Vasyl Kovalishyn

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

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

    Dr. Vasyl Kovalishyn