The Utility of Calculated Proton Affinities in Drug Design: A DFT Study
(2018)
Journal Article
Ayine-Tora, D. M., & Reynisson, J. (2018). The Utility of Calculated Proton Affinities in Drug Design: A DFT Study. Australian Journal of Chemistry, 71(8), 580. https://doi.org/10.1071/ch18225
Outputs (14)
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. (2018)
Journal Article
Reynisson. (2018). New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of Medicinal Chemistry, https://doi.org/10.1021/acs.jmedchem.8b01031Six morpholine-(iso)thiosemicarbazone hybrids HL1-HL6 and their Cu(II) complexes with good-to-moderate solubility and stability in water were synthesized and characterized. Cu(II) complexes [Cu(L1-6)Cl] (1-6) formed weak dimeric associates in the sol... Read More about New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action..
From Catalysis to Cancer: Toward Structure–Activity Relationships for Benzimidazol-2-ylidene-Derived N-Heterocyclic-Carbene Complexes as Anticancer Agents (2018)
Journal Article
Lam, N. Y. S., Truong, D., Burmeister, H., Babak, M. V., Holtkamp, H. U., Movassaghi, S., …Hartinger, C. G. (2018). From Catalysis to Cancer: Toward Structure–Activity Relationships for Benzimidazol-2-ylidene-Derived N-Heterocyclic-Carbene Complexes as Anticancer Agents. Inorganic Chemistry, 57(22), 14427-14434. https://doi.org/10.1021/acs.inorgchem.8b02634
The Development of a Weighted Index to Optimise Compound Libraries for High Throughput Screening (2018)
Journal Article
Eurtivong, C., & Reynisson, J. (2019). The Development of a Weighted Index to Optimise Compound Libraries for High Throughput Screening. Molecular Informatics, 38(3), 1800068. https://doi.org/10.1002/minf.201800068
A Novel Class of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Contains the Octahydro-2H-chromen-4-ol Scaffold. (2018)
Journal Article
Li-Zhulanov, N. S., Zakharenko, A. L., Chepanova, A. A., Patel, J., Zafar, A., Volcho, K. P., …Lavrik, O. I. (2018). A Novel Class of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Contains the Octahydro-2H-chromen-4-ol Scaffold. Molecules, 23(10), Article 2468. https://doi.org/10.3390/molecules23102468Tyrosyl-DNA phosphodiesterase 1 (Tdp1) is a DNA repair enzyme that mends topoisomerase 1-mediated DNA damage. Tdp1 is a current inhibition target for the development of improved anticancer treatments, as its inhibition may enhance the therapeutic eff... Read More about A Novel Class of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Contains the Octahydro-2H-chromen-4-ol Scaffold..
A Chemometric Analysis of Compounds from Native New Zealand Medicinal Flora (2018)
Journal Article
Pilkington, L. I., Yang, X., Liu, M., Hemar, Y., Brimble, M. A., & Reynisson, J. (2019). A Chemometric Analysis of Compounds from Native New Zealand Medicinal Flora. Chemistry - An Asian Journal, 14(8), 1117-1127. https://doi.org/10.1002/asia.201800803
Synthesis and evaluation of aryliden- and hetarylidenfuranone derivatives of usnic acid as highly potent Tdp1 inhibitors (2018)
Journal Article
Zakharova, O., Luzina, O., Zakharenko, A., Sokolov, D., Filimonov, A., Dyrkheeva, N., …Lavrik, O. (2018). Synthesis and evaluation of aryliden- and hetarylidenfuranone derivatives of usnic acid as highly potent Tdp1 inhibitors. Bioorganic and Medicinal Chemistry, 26(15), 4470-4480. https://doi.org/10.1016/j.bmc.2018.07.039
Synthesis of novel, potent phosphatidyl-choline specific phospholipase C inhibitors (2018)
Journal Article
Pilkington, L., van Rensburg, M., Reynisson, J., Leung, E., Denny, W., & Barker, D. (2018). Synthesis of novel, potent phosphatidyl-choline specific phospholipase C inhibitors. Abstracts of papers of the American Chemical Society, 256,
Organoruthenium and Organoosmium Complexes of 2-Pyridinecarbothioamides Functionalized with a Sulfonamide Motif: Synthesis, Cytotoxicity and Biomolecule Interactions (2018)
Journal Article
Arshad, J., Hanif, M., Zafar, A., Movassaghi, S., Tong, K. K. H., Reynisson, J., …Hartinger, C. G. (2018). Organoruthenium and Organoosmium Complexes of 2-Pyridinecarbothioamides Functionalized with a Sulfonamide Motif: Synthesis, Cytotoxicity and Biomolecule Interactions. ChemPlusChem, 83(7), 612-619. https://doi.org/10.1002/cplu.201800194
Synthesis, antibacterial, and antibiofilm potential of human autophagy 16 polypeptide and analogues (2018)
Journal Article
Reynisson. (2018). Synthesis, antibacterial, and antibiofilm potential of human autophagy 16 polypeptide and analogues. Peptide Science, e24076. https://doi.org/10.1002/pep2.24076This work demonstrates that the human autophagy 16 polypeptide (Atg16) has antibacterial and antibiofilm potential, perturbs both Gram positive and negative bacterial membranes and subsequently also produces ROS in compromised bacteria. Engineered At... Read More about Synthesis, antibacterial, and antibiofilm potential of human autophagy 16 polypeptide and analogues.
Novel Semisynthetic Derivatives of Bile Acids as Effective Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. (2018)
Journal Article
Reynisson. (2018). Novel Semisynthetic Derivatives of Bile Acids as Effective Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. Molecules, https://doi.org/10.3390/molecules23030679An Important task in the treatment of oncological and neurodegenerative diseases is the search for new inhibitors of DNA repair system enzymes. Tyrosyl-DNA phosphodiesterase 1 (Tdp1) is one of the DNA repair system enzymes involved in the removal of... Read More about Novel Semisynthetic Derivatives of Bile Acids as Effective Tyrosyl-DNA Phosphodiesterase 1 Inhibitors..
Aminoadamantanes containing monoterpene-derived fragments as potent tyrosyl-DNA phosphodiesterase 1 inhibitors (2018)
Journal Article
Ponomarev, K. Y., Suslov, E. V., Zakharenko, A. L., Zakharova, O. D., Rogachev, A. D., Korchagina, D. V., …Lavrik, O. I. (2018). Aminoadamantanes containing monoterpene-derived fragments as potent tyrosyl-DNA phosphodiesterase 1 inhibitors. Bioorganic Chemistry, 76, 392-399. https://doi.org/10.1016/j.bioorg.2017.12.005
Investigation into Improving the Aqueous Solubility of the Thieno[2,3-b]pyridine Anti-Proliferative Agents (2018)
Journal Article
Reynisson, J. (2018). Investigation into Improving the Aqueous Solubility of the Thieno[2,3-b]pyridine Anti-Proliferative Agents. Molecules, https://doi.org/10.3390/molecules23010145It is now established that the thieno[2,3-b]pyridines are a potent class of antiproliferatives. One of the main issues encountered for their clinical application is their low water solubility. In order to improve this, two strategies were pursued. Fi... Read More about Investigation into Improving the Aqueous Solubility of the Thieno[2,3-b]pyridine Anti-Proliferative Agents.
Thieno[2,3-b]pyridine derivatives are potent anti-platelet drugs, inhibiting platelet activation, aggregation and showing synergy with aspirin. (2018)
Journal Article
Reynisson. (2018). Thieno[2,3-b]pyridine derivatives are potent anti-platelet drugs, inhibiting platelet activation, aggregation and showing synergy with aspirin. European Journal of Medicinal Chemistry, 1997 - 2004. https://doi.org/10.1016/j.ejmech.2017.11.014Drugs which inhibit platelet function are commonly used to prevent blood clot formation in patients with Acute Coronary Syndromes (ACS) or those at risk of stroke. The thieno[3,2-c]pyridine class of therapeutic agents, of which clopidogrel is the mos... Read More about Thieno[2,3-b]pyridine derivatives are potent anti-platelet drugs, inhibiting platelet activation, aggregation and showing synergy with aspirin..