Biography
Dr Jóhannes Reynisson FRSC began his academic career at the University of Iceland where he read chemistry (BSc/MSc). His PhD was obtained from the University of Copenhagen in 2000, the research work was carried out at the Risø national laboratory (Denmark) and Georgia Institute of Technology (GA, USA). He spent two and a half years in Germany as a post-doctoral fellow at the Max-Planck-Institut für Strahlenchemie, Mülheim and the University of Leipzig. He worked for five years at the Institute of Cancer Research in London as a molecular modeller developing anticancer drug candidates followed by a lectureship at the Nottingham Trent University. For ten years, he was a senior lecturer in computational chemistry and molecular modelling at the University of Auckland, New Zealand.
On the editorial board for Molecules medicinal chemistry section.
Guest editor of the special issues:
Hit Generation and Verification for Novel Lead compounds
Advances in Anticancer Drug Discovery
Research and scholarship
Dr Reynisson’s research interests lie within the field of drug discovery, in particular computer aided drug design (CADD) with emphasis on molecular modelling, virtual high throughput screening and density functional theory (DFT). His main interests now are:
i) Development of Tyrosyl-DNA phosphodiesterase I (TDP1) inhibitors as anticancer agents
ii) Hit to lead development of autophagy inhibitors
iii) The use of natural products in conjunction with virtual high throughput screening to identify quality lead compounds
iv) Development of pharmacokinetic models based on density functional theory molecular descriptors
v) Investigations into the nature of known drug space (KDS) and its application as a navigational tool in chemical space
Teaching
I teach elements of the undergraduate curriculum for the Keele University MPharm and BSc Pharmaceutical Science, Technology and Business programmes at the School of Pharmacy and Bioengineering.
Selected Publications
- 2023.
- 2023.
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Monoterpene substituted thiazolidin-4-ones as novel TDP1 inhibitors: Synthesis, biological evaluation and docking. Bioorg Med Chem Lett, 128909, vol. 73. link> doi> full text>2022.
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Novel Thieno [2,3-b]pyridine Anticancer Compound Lowers Cancer Stem Cell Fraction Inducing Shift of Lipid to Glucose Metabolism. Int J Mol Sci, vol. 23(19). link> doi> full text>2022.
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New Myrtenal-Adamantane Conjugates Alleviate Alzheimer's-Type Dementia in Rat Model. Molecules, vol. 27(17). link> doi> full text>2022.
Full Publications Listshow
Journal Articles
- 2023.
- 2023.
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Monoterpene substituted thiazolidin-4-ones as novel TDP1 inhibitors: Synthesis, biological evaluation and docking. Bioorg Med Chem Lett, 128909, vol. 73. link> doi> full text>2022.
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Novel Thieno [2,3-b]pyridine Anticancer Compound Lowers Cancer Stem Cell Fraction Inducing Shift of Lipid to Glucose Metabolism. Int J Mol Sci, vol. 23(19). link> doi> full text>2022.
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New Myrtenal-Adamantane Conjugates Alleviate Alzheimer's-Type Dementia in Rat Model. Molecules, vol. 27(17). link> doi> full text>2022.
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Adamantane-Monoterpenoid Conjugates Linked via Heterocyclic Linkers Enhance the Cytotoxic Effect of Topotecan. Molecules, vol. 27(11). link> doi> full text>2022.
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Sesquiterpene Lactones Modulated DNA Methylation through Inhibition of DNMTs in Ovarian Cancer Cells. Pharmacological Research - Modern Chinese Medicine, Article 100074, vol. 3. doi> link> full text>2022.
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Highly Antiproliferative Latonduine and Indolo[2,3-c]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. J Med Chem, 2238-2261, vol. 65(3). link> doi> full text>2022.
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Conjugation of Palbociclib with MHI-148 Has an Increased Cytotoxic Effect for Breast Cancer Cells and an Altered Mechanism of Action. Molecules, vol. 27(3). link> doi> full text>2022.
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Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70. Molecules, vol. 27(3). link> doi> full text>2022.
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Sweet targets: sugar nucleotide biosynthesis inhibitors. Future Medicinal Chemistry. link> doi> link> full text>2022.
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New Deoxycholic Acid Derived Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Also Inhibit Tyrosyl-DNA Phosphodiesterase 2. Molecules, vol. 27(1). link> doi> full text>2021.
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Impact of the ferrocenyl group on cytotoxicity and KSP inhibitory activity of ferrocenyl monastrol conjugates. Dalton Trans, 491-508, vol. 51(2). link> doi> full text>2022.
- 2021.
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New Hybrid Compounds Combining Fragments of Usnic Acid and Monoterpenoids for Effective Tyrosyl-DNA Phosphodiesterase 1 Inhibition. Biomolecules, vol. 11(7). link> doi> full text>2021.
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Validating TDP1 as an Inhibition Target for the Development of Chemosensitizers for Camptothecin-Based Chemotherapy Drugs. Oncology and Therapy. link> doi> full text>2021.
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Thieno[2,3-b]Pyridine Derivative Targets Epithelial, Mesenchymal and Hybrid CD15s+ Breast Cancer Cells. Medicines (Basel), vol. 8(7). link> doi> full text>2021.
- 2021.
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Novel Tdp1 Inhibitors Based on Adamantane Connected with Monoterpene Moieties via Heterocyclic Fragments. Molecules, vol. 26(11). link> doi> full text>2021.
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Discovery of novel Hsp90 C-terminal domain inhibitors that disrupt co-chaperone binding. Bioorg Med Chem Lett, 127857, vol. 38. link> doi> full text>2021.
- 2021.
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Discovery of Novel Sultone Fused Berberine Derivatives as Promising Tdp1 Inhibitors. Molecules, vol. 26(7). link> doi> full text>2021.
- 2021.
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Improving the solubility of anti-proliferative thieno[2,3-b]quinoline-2-carboxamides. Bioorg Med Chem, 116092, vol. 37. link> doi> full text>2021.
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An optimised MALDI-TOF assay for phosphatidylcholine-specific phospholipase C. Anal Methods, 491-496, vol. 13(4). link> doi> full text>2021.
- 2021.
- 2020.
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Metal-Dependent Cytotoxic and Kinesin Spindle Protein Inhibitory Activity of Ru, Os, Rh, and Ir Half-Sandwich Complexes of Ispinesib-Derived Ligands. Inorg Chem, 14879-14890, vol. 59(20). link> doi> full text>2020.
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The First Berberine-Based Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 (Tdp1), an Important DNA Repair Enzyme. Int J Mol Sci, vol. 21(19). link> doi> full text>2020.
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Design, Synthesis, and Biological Investigation of Novel Classes of 3-Carene-Derived Potent Inhibitors of TDP1. Molecules, vol. 25(15). link> doi> full text>2020.
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Glycosphingolipid expression at breast cancer stem cells after novel thieno[2,3-b]pyridine anticancer compound treatment. Sci Rep, 11876, vol. 10(1). link> doi> full text>2020.
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Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-7. Molecules, vol. 25(13). link> doi> full text>2020.
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A Multitargeted Approach: Organorhodium Anticancer Agent Based on Vorinostat as a Potent Histone Deacetylase Inhibitor. Angew Chem Int Ed Engl, 14609-14614, vol. 59(34). link> doi> full text>2020.
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Rapid changes in the ATG5-ATG16L1 complex following nutrient deprivation measured using NanoLuc Binary Technology (NanoBIT). FEBS J, 4917-4932, vol. 287(22). link> doi> full text>2020.
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Development, synthesis and biological investigation of a novel class of potent PC-PLC inhibitors. Eur J Med Chem, 112162, vol. 191. link> doi> full text>2020.
- 2019.
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Promising New Inhibitors of Tyrosyl-DNA Phosphodiesterase I (Tdp 1) Combining 4-Arylcoumarin and Monoterpenoid Moieties as Components of Complex Antitumor Therapy. Int J Mol Sci, vol. 21(1). link> doi> full text>2019.
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Exploring anomeric glycosylation of phosphoric acid: Optimisation and scope for non-native substrates. Carbohydr Res, 107896, vol. 488. link> doi> full text>2020.
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Novel Cell-Penetrating Peptide Conjugated Proteasome Inhibitors: Anticancer and Antifungal Investigations. Journal of Medicinal Chemistry. link> doi> link> full text>2019.
- 2020.
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Identification of novel inhibitors for the tyrosyl-DNA-phosphodiesterase 1 (Tdp1) mutant SCAN1 using virtual screening. Bioorg Med Chem, 115234, vol. 28(1). link> doi> full text>2020.
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Discovery and Characterisation of Dual Inhibitors of Tryptophan 2,3-Dioxygenase (TDO2) and Indoleamine 2,3-Dioxygenase 1 (IDO1) Using Virtual Screening. Molecules, vol. 24(23). link> doi> full text>2019.
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Discovery of novel phosphatidylcholine-specific phospholipase C drug-like inhibitors as potential anticancer agents. Eur J Med Chem, 111919, vol. 187. link> doi> full text>2020.
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Identification of Isoform-Selective Ligands for the Middle Domain of Heat Shock Protein 90 (Hsp90). Int J Mol Sci, vol. 20(21). link> doi> full text>2019.
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New Hydrazinothiazole Derivatives of Usnic Acid as Potent Tdp1 Inhibitors. Molecules, vol. 24(20). link> doi> full text>2019.
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Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2. Nat Commun, 4639, vol. 10(1). link> doi> full text>2019.
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The cytotoxic potential of cationc triangulenes against tumour cells. MedChemComm. doi> link> full text>2019.
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The Development of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. Combination of Monoterpene and Adamantine Moieties via Amide or Thioamide Bridges. APPLIED SCIENCES-BASEL, Article ARTN 2767, vol. 9(13). link> doi> full text>2019.
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Antifungal screening and in silico mechanistic studies of an in-house azole library. Chem Biol Drug Des, 1944-1955, vol. 94(5). link> doi> full text>2019.
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Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-5. Molecules, vol. 24(13). link> doi> link> full text>2019.
- 2019.
- 2019.
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New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of Medicinal Chemistry. link> doi> link> full text>2019.
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Generation of Quality Hit Matter for Successful Drug Discovery Projects. Molecules, vol. 24(3). link> doi> full text>2019.
- 2019.
- 2019.
- 2018.
- 2018.
- 2018.
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A Novel Class of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Contains the Octahydro-2H-chromen-4-ol Scaffold. Molecules, vol. 23(10). link> doi> link> full text>2018.
- 2018.
- 2018.
- 2018.
- 2018.
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Synthesis, antibacterial, and antibiofilm potential of human autophagy 16 polypeptide and analogues. PEPTIDE SCIENCE, Article ARTN e24076, vol. 110(4). link> doi> link> full text>2018.
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Novel Semisynthetic Derivatives of Bile Acids as Effective Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. Molecules, vol. 23(3). link> doi> link> full text>2018.
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Investigation into Improving the Aqueous Solubility of the Thieno[2,3-b]pyridine Anti-Proliferative Agents. Molecules, vol. 23(145). doi> full text>2018.
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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, vol. 143. link> doi> link> full text>2018.
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GPCR Modulation of Thieno[2,3-b]pyridine Anti-Proliferative Agents. Molecules, vol. 22(12). link> doi> link> full text>2017.
- 2017.
- 2017.
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Development of NMR and thermal shift assays for the evaluation of Mycobacterium tuberculosis isocitrate lyase inhibitors. MedChemComm, 2155-2163, vol. 8(11). link> doi> link> full text>2017.
- 2017.
- 2017.
- 2017.
- 2017.
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Glycophenotype of breast and prostate cancer stem cells treated with thieno[2,3-b]pyridine anticancer compound. Drug Design, Development and Therapy, 759-769, vol. 11. link> doi> link> full text>2017.
- 2017.
- 2016.
- 2016.
- 2016.
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Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action. Molecules, vol. 21(10). link> doi> full text>2016.
- 2016.
- 2016.
- 2016.
- 2016.
- 2016.
- 2016.
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Evidence that phospholipase C is involved in the antitumour action of NSC768313, a new thieno[2,3-b]pyridine derivative. Cancer Cell International, 18, vol. 16. link> doi> link> full text>2016.
- 2016.
- 2016.
- 2015.
- 2015.
- 2015.
- 2015.
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Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action. Chemical Science, 2449-2456, vol. 6(4). link> doi> link> full text>2015.
- 2014.
- 2014.
- 2014.
- 2014.
- 2014.
- 2014.
- 2013.
- 2013.
- 2013.
- 2013.
- 2013.
- 2012.
- 2012.
- 2012.
- 2012.
- 2012.
- 2012.
- 2011.
- 2011.
- 2011.
- 2010.
- 2010.
- 2010.
- 2010.
- 2010.
- 2010.
- 2009.
- 2009.
- 2009.
- 2008.
- 2008.
- 2007.
- 2007.
- 2007.
- 2005.
- 2005.
- 2005.
- 2004.
- 2004.
- 2003.
- 2003.
- 2002.
- 2002.
- 2002.
- 2002.
- 2001.
- 2001.
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Structural properties of DNO investigated with pyrene excimer formation. (vol 6, pg 603, 2000). JOURNAL OF PEPTIDE SCIENCE, 395, vol. 7(7). link>2001.
- 2000.
- 2000.
- 2000.
- 1998.
- 1997.
Other
- 2020.
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Development of thienopyridines as potent antiproliferative agents. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (vol. 256). link>2018.
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Synthesis of novel, potent phosphatidyl-choline specific phospholipase C inhibitors. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (vol. 256). link>2018.
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Targeting isocitrate lyase for the treatments of tuberculosis. FEBS OPEN BIO (p. 277, vol. 8). link>2018.
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Development and application of an NMR-based activity and inhibition assay for mycobacterial isocitrate lyase. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (vol. 253). link>2017.
- 2017.
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The effect of a phospholipase C gamma inhibitor on the proliferation and phenotype of Du145 prostate cancer cells. FEBS JOURNAL (p. 507, vol. 281). link>2014.
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Transformation of Bisphenol A, triclosan, and nonylphenol by the Fe-TAML/H2O2 system. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (vol. 248). link>2014.
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Coumarin antifungal lead compounds, predicted mechanism of action. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (p. C406, vol. 70). link>2014.
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Mutagenic potential of nitrenium ions of nitrobenzanthrones: correlation between theory and experiment. MUTAGENESIS (p. 106, vol. 24). link>2009.
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Mutagenicity and DNA adduct formation by the urban air pollutant 2-nitrobenzanthrone. MUTAGENESIS (p. 439, vol. 22). link>2007.
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Photophysics of trioxatriangulenes. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (p. U699, vol. 216). link>1998.
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