All Stories

  1. Glycophenotype of breast and prostate cancer stem cells treated with thieno[2,3-b]pyridine anticancer compound

    Article • Drug Design Development and Therapy, March 2017, Dove Medical Press

    Dr David Barker, Johannes Reynisson

  2. Virtual screening for novel Atg5–Atg16 complex inhibitors for autophagy modulation

    Article • MedChemComm, January 2015, Royal Society of Chemistry

    Johannes Reynisson

  3. A synthesis, in silico, in vitro and in vivo study of thieno[2,3-b]pyridine anticancer analogues

    Article • MedChemComm, January 2015, Royal Society of Chemistry

    Johannes Reynisson

  4. The effect of a thieno[2,3-b]pyridine PLC-γ inhibitor on the proliferation, morphology, migration and cell cycle of breast cancer cells

    Article • MedChemComm, January 2014, Royal Society of Chemistry

    Johannes Reynisson

  5. The development of thieno[2,3-b]pyridine analogues as anticancer agents applying in silico methods

    Article • MedChemComm, January 2014, Royal Society of Chemistry

    Johannes Reynisson

  6. Characterisation of radicals formed by the triazine 1,4-dioxide hypoxia-activated prodrug, SN30000

    Article • Organic & Biomolecular Chemistry, January 2014, Royal Society of Chemistry

    Johannes Reynisson

  7. The physicochemical properties of a new class of anticancer fungal polysaccharides: A comparative study

    Article • Carbohydrate Polymers, August 2013, Elsevier

    Johannes Reynisson

  8. DNA adduct formation of mitomycin C. A test case for DFT calculations on model systems

    Article • Computational and Theoretical Chemistry, February 2013, Elsevier

    Johannes Reynisson

  9. A new precursor for conducting polymer-based brush interfaces with electroactivity in aqueous solution

    Article • Polymer, February 2013, Elsevier

    Johannes Reynisson

  10. Wine Compounds as a Source for HTS Screening Collections. A Feasibility Study

    Article • Molecular Informatics, November 2012, Wiley

    Johannes Reynisson

  11. The impact of carbon–hydrogen bond dissociation energies on the prediction of the cytochrome P450 mediated major metabolic site of drug-like compounds

    Article • European Journal of Medicinal Chemistry, October 2012, Elsevier

    Johannes Reynisson

  12. The effect of PLC-γ2 inhibitors on the growth of human tumour cells

    Article • European Journal of Medicinal Chemistry, August 2012, Elsevier

    Johannes Reynisson

  13. Size estimation of chemical space: how big is it?

    Article • Journal of Pharmacy and Pharmacology, December 2011, Oxford University Press (OUP)

    Johannes Reynisson

  14. Bond stability of the “undesirable” heteroatom–heteroatom molecular moieties for high-throughput screening libraries

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

    Johannes Reynisson

  15. ChemInform Abstract: A Facile Synthesis of Pyrazoles with Multi‐Point Structural Diversity by 1,3‐Dipolar Cycloaddition.

    Article • ChemInform, January 2011, Wiley

    Johannes Reynisson

  16. Theoretical investigations on the formation of nitrobenzanthrone-DNA Adducts

    Article • Organic & Biomolecular Chemistry, January 2011, Royal Society of Chemistry

    Johannes Reynisson

  17. Theoretical Investigations into the Role of Aryl Nitrenium Ions' Stability on Their Mutagenic Potential

    Article • Australian Journal of Chemistry, January 2011, CSIRO Publishing

    Johannes Reynisson

  18. Characteristics of known drug space. Natural products, their derivatives and synthetic drugs

    Article • European Journal of Medicinal Chemistry, December 2010, Elsevier

    Johannes Reynisson

  19. A facile synthesis of pyrazoles with multi-point structural diversity by 1,3-dipolar cycloaddition

    Article • Tetrahedron Letters, November 2010, Elsevier

    Johannes Reynisson

  20. Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells

    Article • Bioorganic & Medicinal Chemistry Letters, October 2010, Elsevier

    Johannes Reynisson

  21. DFT calculations on the deprotonation site of the one-electron oxidised guanine–cytosine base pair

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Johannes Reynisson

  22. Molecular mechanism of base pairing infidelity during DNA duplication upon one-electron oxidation

    Article • World Journal of Clinical Oncology, January 2010, Baishideng Publishing Group Co., Limited (formerly WJG Press)

    Johannes Reynisson

  23. Known drug space as a metric in exploring the boundaries of drug-like chemical space

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

    Johannes Reynisson

  24. The identification of novel PLC-γ inhibitors using virtual high throughput screening

    Article • Bioorganic & Medicinal Chemistry, April 2009, Elsevier

    Johannes Reynisson

  25. Investigation of the incidence of “undesirable” molecular moieties for high-throughput screening compound libraries in marketed drug compounds

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

    Johannes Reynisson

  26. Mutagenic potential of nitrenium ions of nitrobenzanthrones: Correlation between theory and experiment

    Article • Environmental and Molecular Mutagenesis, July 2008, Wiley

    Johannes Reynisson

  27. Benchmarking the Reliability of QikProp. Correlation between Experimental and Predicted Values

    Article • QSAR & Combinatorial Science, April 2008, Wiley

    Johannes Reynisson

  28. Hit generation and exploration: Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases

    Article • Bioorganic & Medicinal Chemistry Letters, December 2007, Elsevier

    Johannes Reynisson

  29. Mutagenicity and DNA Adduct Formation by the Urban Air Pollutant 2-Nitrobenzanthrone

    Article • Toxicological Sciences, April 2007, Oxford University Press (OUP)

    Johannes Reynisson

  30. The Bioreductive Alkylation of DNA by Kalafungin: A Theoretical Investigation

    Article • Australian Journal of Chemistry, January 2007, CSIRO Publishing

    Johannes Reynisson

  31. Photoionization versus photoheterolysis of all-trans-retinol. The effects of solvent and laser radiation intensity

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Johannes Reynisson

  32. 2,6,10-Tris(dialkylamino)trioxatriangulenium salts: a new promising fluorophore. Ion-pair formation and aggregation in non-polar solvents

    Article • Photochemical & Photobiological Sciences, August 2005, Springer Science + Business Media

    Johannes Reynisson

  33. The calculated base pairing energy of 8-oxoguanine in the syn–anti conformation with cytosine, thymine, adenine and guanine

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

    Johannes Reynisson

  34. Tuning of hydrogen bond strength using substituents on phenol and aniline: A possible ligand design strategy

    Article • Journal of Computer-Aided Molecular Design, June 2004, Springer Science + Business Media

    Johannes Reynisson

  35. The complexation energy of the one-electron oxidized guanine–cytosine base pair and its parent system with small cations. A DFT-study

    Article • Journal of Molecular Structure THEOCHEM, September 2003, Elsevier

    Johannes Reynisson

  36. Intercalation of Trioxatriangulenium Ion in DNA:  Binding, Electron Transfer, X-ray Crystallography, and Electronic Structure

    Article • Journal of the American Chemical Society, January 2003, American Chemical Society (ACS)

    Johannes Reynisson

  37. Vibrational spectroscopic and quantum chemical studies of the trioxatriangulenium carbocation

    Article • Journal of Molecular Structure, March 2000, Elsevier

    Johannes Reynisson

  38. Photochemistry of substituted methyl-α-arylcinnamates: ortho- and para-substitution

    Article • Journal of Photochemistry and Photobiology A Chemistry, May 1998, Elsevier

    Johannes Reynisson

  39. ChemInform Abstract: Reactions of 1‐Aza‐1,3‐butadienes. An Expedient Synthesis of Unsymmetrically Substituted N‐Benzyl‐1,4‐dihydropyridines and N‐Benzyl‐ 1,4‐dihydronicotinamides.

    Article • ChemInform, June 1997, Wiley

    Johannes Reynisson

  40. Reactions of 1-Aza-1,3-butadienes. An Expedient Synthesis of Unsymmetrically Substituted N-Benzyl-1,4-dihydropyridines and N-Benzyl-1,4-dihydronicotinamides.

    Article • Acta Chemica Scandinavica, January 1997, Danish Chemical Society

    Johannes Reynisson