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    •
    Dr Jóhannes Reynisson

    Dr Jóhannes Reynisson

    Title
    Lecturer in Drug Discovery
    Location
    Hornbeam 0.56
    Contact me
    Via email
    Phone
    +44 (0) 1782 733985
    Email
    j.reynisson@keele.ac.uk

    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.

    Scholar Link

    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

    MedChem

    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

    • Ivankin DI, Kornienko TE, Mikhailova MA, Dyrkheeva NS, Zakharenko AL, Achara C, Reynisson J, Golyshev VM, Luzina OA, Volcho KP, Salakhutdinov NF, Lavrik OI. 2023. Novel TDP1 Inhibitors: Disubstituted Thiazolidine-2,4-Diones Containing Monoterpene Moieties. Int J Mol Sci, vol. 24(4). link> doi>
    • Wittmann C, Gruene T, Prado-Roller A, Arandelovic S, Reynisson J, Arion VBB. 2023. Latonduine-1-Amino-Hydantoin Hybrid, Triazole-Fused Latonduine Schiff Bases and Their Metal Complexes: Synthesis, X-ray and Electron Diffraction, Molecular Docking Studies and Antiproliferative Activity. INORGANICS, Article ARTN 30, vol. 11(1). link> doi>
    • Ivankin DI, Dyrkheeva NS, Zakharenko AL, Ilina ES, Zarkov TO, Reynisson J, Luzina OA, Volcho KP, Salakhutdinov NF, Lavrik OI. 2022. 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>
    • Pervan M, Marijan S, Markotić A, Pilkington LI, Haverkate NA, Barker D, Reynisson J, Meić L, Radan M, Čikeš Čulić V. 2022. 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>
    • Dragomanova S, Lazarova M, Munkuev A, Suslov E, Volcho K, Salakhutdinov N, Bibi A, Reynisson J, Tzvetanova E, Alexandrova A, Georgieva A, Uzunova D, Stefanova M, Kalfin R, Tancheva L. 2022. New Myrtenal-Adamantane Conjugates Alleviate Alzheimer's-Type Dementia in Rat Model. Molecules, vol. 27(17). link> doi> full text>

    Full Publications Listshow

    Journal Articles

    • Ivankin DI, Kornienko TE, Mikhailova MA, Dyrkheeva NS, Zakharenko AL, Achara C, Reynisson J, Golyshev VM, Luzina OA, Volcho KP, Salakhutdinov NF, Lavrik OI. 2023. Novel TDP1 Inhibitors: Disubstituted Thiazolidine-2,4-Diones Containing Monoterpene Moieties. Int J Mol Sci, vol. 24(4). link> doi>
    • Wittmann C, Gruene T, Prado-Roller A, Arandelovic S, Reynisson J, Arion VBB. 2023. Latonduine-1-Amino-Hydantoin Hybrid, Triazole-Fused Latonduine Schiff Bases and Their Metal Complexes: Synthesis, X-ray and Electron Diffraction, Molecular Docking Studies and Antiproliferative Activity. INORGANICS, Article ARTN 30, vol. 11(1). link> doi>
    • Ivankin DI, Dyrkheeva NS, Zakharenko AL, Ilina ES, Zarkov TO, Reynisson J, Luzina OA, Volcho KP, Salakhutdinov NF, Lavrik OI. 2022. 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>
    • Pervan M, Marijan S, Markotić A, Pilkington LI, Haverkate NA, Barker D, Reynisson J, Meić L, Radan M, Čikeš Čulić V. 2022. 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>
    • Dragomanova S, Lazarova M, Munkuev A, Suslov E, Volcho K, Salakhutdinov N, Bibi A, Reynisson J, Tzvetanova E, Alexandrova A, Georgieva A, Uzunova D, Stefanova M, Kalfin R, Tancheva L. 2022. New Myrtenal-Adamantane Conjugates Alleviate Alzheimer's-Type Dementia in Rat Model. Molecules, vol. 27(17). link> doi> full text>
    • Munkuev AA, Dyrkheeva NS, Kornienko TE, Ilina ES, Ivankin DI, Suslov EV, Korchagina DV, Gatilov YV, Zakharenko AL, Malakhova AA, Reynisson J, Volcho KP, Salakhutdinov NF, Lavrik OI. 2022. Adamantane-Monoterpenoid Conjugates Linked via Heterocyclic Linkers Enhance the Cytotoxic Effect of Topotecan. Molecules, vol. 27(11). link> doi> full text>
    • Fadayomi I, Sari S, Kitchen M, Reynisson J, Forsyth N, Li W-W. 2022. 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>
    • Wittmann C, Bacher F, Enyedy EA, Dömötör O, Spengler G, Madejski C, Reynisson J, Arion VB. 2022. 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>
    • Choi PJ, Tomek P, Tercel M, Reynisson J, Park TIH, Cooper EA, Denny WA, Jose J, Leung E. 2022. 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>
    • O'Connor S, Le Bihan Y-V, Westwood IM, Liu M, Mak OW, Zazeri G, Povinelli APR, Jones AM, van Montfort R, Reynisson J, Collins I. 2022. Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70. Molecules, vol. 27(3). link> doi> full text>
    • Ahmadipour S, Reynisson J, Field RA, Miller GJ. 2022. Sweet targets: sugar nucleotide biosynthesis inhibitors. Future Medicinal Chemistry. link> doi> link> full text>
    • Salomatina OV, Dyrkheeva NS, Popadyuk II, Zakharenko AL, Ilina ES, Komarova NI, Reynisson J, Salakhutdinov NF, Lavrik OI, Volcho KP. 2021. New Deoxycholic Acid Derived Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Also Inhibit Tyrosyl-DNA Phosphodiesterase 2. Molecules, vol. 27(1). link> doi> full text>
    • Wieczorek-Błauż A, Kowalczyk K, Błauż A, Makal A, Pawlędzio S, Eurtivong C, Arabshahi HJ, Reynisson J, Hartinger CG, Rychlik B, Plażuk D. 2022. 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>
    • Rees SWP, Leung E, Reynisson J, Barker D, Pilkington LI. 2021. Development of 2-Morpholino-N-hydroxybenzamides as anti-proliferative PC-PLC inhibitors. Bioorg Chem, 105152, vol. 114. link> doi>
    • Dyrkheeva NS, Filimonov AS, Luzina OA, Zakharenko AL, Ilina ES, Malakhova AA, Medvedev SP, Reynisson J, Volcho KP, Zakian SM, Salakhutdinov NF, Lavrik OI. 2021. 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>
    • Leung E, Patel J, Hollywood JA, Zafar A, Tomek P, Barker D, Pilkington LI, van Rensburg M, Langley RJ, Helsby NA, Squire CJ, Baguley BC, Denny WA, Reynisson J, Leung IKH. 2021. Validating TDP1 as an Inhibition Target for the Development of Chemosensitizers for Camptothecin-Based Chemotherapy Drugs. Oncology and Therapy. link> doi> full text>
    • Marijan S, Mastelić A, Markotić A, Režić-Mužinić N, Vučenović N, Barker D, Pilkington LI, Reynisson J, Čulić VČ. 2021. Thieno[2,3-b]Pyridine Derivative Targets Epithelial, Mesenchymal and Hybrid CD15s+ Breast Cancer Cells. Medicines (Basel), vol. 8(7). link> doi> full text>
    • Leung E, Ayine-Tora DM, Santos-Ledo A, Korolchuk VI, Reynisson J. 2021. Identification of novel Atg3-Atg8 inhibitors using virtual screening for autophagy modulation. Bioorg Chem, 105092, vol. 114. link> doi>
    • Munkuev AA, Mozhaitsev ES, Chepanova AA, Suslov EV, Korchagina DV, Zakharova OD, Ilina ES, Dyrkheeva NS, Zakharenko AL, Reynisson J, Volcho KP, Salakhutdinov NF, Lavrik OI. 2021. Novel Tdp1 Inhibitors Based on Adamantane Connected with Monoterpene Moieties via Heterocyclic Fragments. Molecules, vol. 26(11). link> doi> full text>
    • Mak OW, Sharma N, Reynisson J, Leung IKH. 2021. Discovery of novel Hsp90 C-terminal domain inhibitors that disrupt co-chaperone binding. Bioorg Med Chem Lett, 127857, vol. 38. link> doi> full text>
    • Marijan S, Markotić A, Mastelić A, Režić-Mužinić N, Pilkington LI, Reynisson J, Čulić VČ. 2021. Author Correction: Glycosphingolipid expression at breast cancer stem cells after novel thieno[2,3-b]pyridine anticancer compound treatment. Sci Rep, 8236, vol. 11(1). link> doi>
    • Gladkova ED, Chepanova AA, Ilina ES, Zakharenko AL, Reynisson J, Luzina OA, Volcho KP, Lavrik OI, Salakhutdinov NF. 2021. Discovery of Novel Sultone Fused Berberine Derivatives as Promising Tdp1 Inhibitors. Molecules, vol. 26(7). link> doi> full text>
    • Reynisson J. 2021. Advances in Anticancer Drug Discovery. Molecules, vol. 26(7). link> doi> full text>
    • Haverkate NA, van Rensburg M, Kumara S, Reynisson J, Leung E, Pilkington LI, Barker D. 2021. Improving the solubility of anti-proliferative thieno[2,3-b]quinoline-2-carboxamides. Bioorg Med Chem, 116092, vol. 37. link> doi> full text>
    • Sharma N, Langley RJ, Eurtivong C, Leung E, Dixon RJ, Paulin EK, Rees SWP, Pilkington LI, Barker D, Reynisson J, Leung IKH. 2021. An optimised MALDI-TOF assay for phosphatidylcholine-specific phospholipase C. Anal Methods, 491-496, vol. 13(4). link> doi> full text>
    • Salomatina OV, Popadyuk II, Zakharenko AL, Zakharova OD, Chepanova AA, Dyrkheeva NS, Komarova NI, Reynisson J, Anarbaev RO, Salakhutdinov NF, Lavrik OI, Volcho KP. 2021. Deoxycholic acid as a molecular scaffold for tyrosyl-DNA phosphodiesterase 1 inhibition: A synthesis, structure-activity relationship and molecular modeling study. Steroids, 108771, vol. 165. link> doi>
    • Beswick L, Dimitriou E, Ahmadipour S, Zafar A, Rejzek M, Reynisson J, Field RA, Miller GJ. 2020. Inhibition of the GDP-d-Mannose Dehydrogenase from Pseudomonas aeruginosa Using Targeted Sugar Nucleotide Probes. ACS Chem Biol, 3086-3092, vol. 15(12). link> doi>
    • Łomzik M, Hanif M, Budniok A, Błauż A, Makal A, Tchoń DM, Leśniewska B, Tong KKH, Movassaghi S, Söhnel T, Jamieson SMF, Zafar A, Reynisson J, Rychlik B, Hartinger CG, Plażuk D. 2020. 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>
    • Gladkova ED, Nechepurenko IV, Bredikhin RA, Chepanova AA, Zakharenko AL, Luzina OA, Ilina ES, Dyrkheeva NS, Mamontova EM, Anarbaev RO, Reynisson J, Volcho KP, Salakhutdinov NF, Lavrik OI. 2020. 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>
    • Il'ina IV, Dyrkheeva NS, Zakharenko AL, Sidorenko AY, Li-Zhulanov NS, Korchagina DV, Chand R, Ayine-Tora DM, Chepanova AA, Zakharova OD, Ilina ES, Reynisson J, Malakhova AA, Medvedev SP, Zakian SM, Volcho KP, Salakhutdinov NF, Lavrik OI. 2020. Design, Synthesis, and Biological Investigation of Novel Classes of 3-Carene-Derived Potent Inhibitors of TDP1. Molecules, vol. 25(15). link> doi> full text>
    • Marijan S, Markotić A, Mastelić A, Režić-Mužinić N, Pilkington LI, Reynisson J, Čulić VČ. 2020. 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>
    • Gütschow M, Eynde JJV, Jampilek J, Kang C, Mangoni AA, Fossa P, Karaman R, Trabocchi A, Scott PJH, Reynisson J, Rapposelli S, Galdiero S, Winum J-Y, Brullo C, Prokai-Tatrai K, Sharma AK, Schapira M, Azuma Y-T, Cerchia L, Spetea M, Torri G, Collina S, Geronikaki A, García-Sosa AT, Vasconcelos MH, Sousa ME, Kosalec I, Tuccinardi T, Duarte IF, Salvador JAR, Bertinaria M, Pellecchia M, Amato J, Rastelli G, Gomes PAC, Guedes RC, Sabatier J-M, Estévez-Braun A, Pagano B, Mangani S, Ragno R, Kokotos G, Brindisi M, González FV, Borges F, Miloso M, Rautio J, Muñoz-Torrero D. 2020. Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-7. Molecules, vol. 25(13). link> doi> full text>
    • Hanif M, Arshad J, Astin JW, Rana Z, Zafar A, Movassaghi S, Leung E, Patel K, Söhnel T, Reynisson J, Sarojini V, Rosengren RJ, Jamieson SMF, Hartinger CG. 2020. 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>
    • Crowley E, Leung E, Reynisson J, Richardson A. 2020. 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>
    • Pilkington LI, Sparrow K, Rees SWP, Paulin EK, van Rensburg M, Xu CS, Langley RJ, Leung IKH, Reynisson J, Leung E, Barker D. 2020. 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>
    • Chepanova AA, Li-Zhulanov NS, Sukhikh AS, Zafar A, Reynisson J, Zakharenko AL, Zakharova OD, Korchagina DV, Voleho KP, Salakhutdinov NF, Lavrik OI. 2019. Effective Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 Based on Monoterpenoids as Potential Agents for Antitumor Therapy. RUSSIAN JOURNAL OF BIOORGANIC CHEMISTRY, 647-655, vol. 45(6). link> doi>
    • Khomenko TM, Zakharenko AL, Chepanova AA, Ilina ES, Zakharova OD, Kaledin VI, Nikolin VP, Popova NA, Korchagina DV, Reynisson J, Chand R, Ayine-Tora DM, Patel J, Leung IKH, Volcho KP, Salakhutdinov NF, Lavrik OI. 2019. 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>
    • Beswick L, Ahmadipour S, Hofman G-J, Wootton H, Dimitriou E, Reynisson J, Field RA, Linclau B, Miller GJ. 2020. Exploring anomeric glycosylation of phosphoric acid: Optimisation and scope for non-native substrates. Carbohydr Res, 107896, vol. 488. link> doi> full text>
    • Patel KD, De Zoysa GH, Kanamala M, Patel K, Pilkington LI, Barker D, Reynisson J, Wu Z, Sarojini V. 2019. Novel Cell-Penetrating Peptide Conjugated Proteasome Inhibitors: Anticancer and Antifungal Investigations. Journal of Medicinal Chemistry. link> doi> link> full text>
    • Anderson RF, Shinde SS, Maroz A, Reynisson J. 2020. The reduction potential of the slipped GC base pair in one-electron oxidized duplex DNA. Phys Chem Chem Phys, 642-646, vol. 22(2). link> doi>
    • Mamontova EM, Zakharenko AL, Zakharova OD, Dyrkheeva NS, Volcho KP, Reynisson J, Arabshahi HJ, Salakhutdinov NF, Lavrik OI. 2020. 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>
    • Sari S, Tomek P, Leung E, Reynisson J. 2019. 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>
    • Eurtivong C, Pilkington LI, van Rensburg M, White RM, Brar HK, Rees S, Paulin EK, Xu CS, Sharma N, Leung IKH, Leung E, Barker D, Reynisson J. 2020. 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>
    • Mak OW, Chand R, Reynisson J, Leung IKH. 2019. 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>
    • Filimonov AS, Chepanova AA, Luzina OA, Zakharenko AL, Zakharova OD, Ilina ES, Dyrkheeva NS, Kuprushkin MS, Kolotaev AV, Khachatryan DS, Patel J, Leung IKH, Chand R, Ayine-Tora DM, Reynisson J, Volcho KP, Salakhutdinov NF, Lavrik OI. 2019. New Hydrazinothiazole Derivatives of Usnic Acid as Potent Tdp1 Inhibitors. Molecules, vol. 24(20). link> doi> full text>
    • Bhusal RP, Jiao W, Kwai BXC, Reynisson J, Collins AJ, Sperry J, Bashiri G, Leung IKH. 2019. Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2. Nat Commun, 4639, vol. 10(1). link> doi> full text>
    • Leung E, Pilkington LI, Naiha M, Barker D, Zafar A, Eurtivong C, Reynisson J. 2019. The cytotoxic potential of cationc triangulenes against tumour cells. MedChemComm. doi> link> full text>
    • Chepanova AA, Mozhaitsev ES, Munkuev AA, Suslov EV, Korchagina DV, Zakharova OD, Zakharenko AL, Patel J, Ayine-Tora DM, Reynisson J, Leung IKH, Volcho KP, Salakhutdinov NF, Lavrik OI. 2019. 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>
    • Sari S, Kart D, Sabuncuoğlu S, Doğan İS, Özdemir Z, Bozbey İ, Gencel M, Eşsiz Ş, Reynisson J, Karakurt A, Saraç S, Dalkara S. 2019. 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>
    • Mangoni AA, Eynde JJV, Jampilek J, Hadjipavlou-Litina D, Liu H, Reynisson J, Sousa ME, Gomes PAC, Prokai-Tatrai K, Tuccinardi T, Sabatier J-M, Luque FJ, Rautio J, Karaman R, Vasconcelos MH, Gemma S, Galdiero S, Hulme C, Collina S, Gütschow M, Kokotos G, Siciliano C, Capasso R, Agrofoglio LA, Ragno R, Muñoz-Torrero D. 2019. Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-5. Molecules, vol. 24(13). link> doi> link> full text>
    • Varnava KG, Mohid SA, Calligari P, Stella L, Reynison J, Bhunia A, Sarojini V. 2019. Design, Synthesis, Antibacterial Potential, and Structural Characterization of N-Acylated Derivatives of the Human Autophagy 16 Polypeptide. Bioconjug Chem, 1998-2010, vol. 30(7). link> doi>
    • Ashraf A, Aman F, Movassaghi S, Zafar A, Kubanik M, Siddiqui WA, Reynisson J, Sohnel T, Jamieson SMF, Hanif M, Hartinger CG. 2019. Structural Modifications of the Antiinflammatory Oxicam Scaffold and Preparation of Anticancer Organometallic Compounds. ORGANOMETALLICS, 361-374, vol. 38(2). link> doi>
    • Ohui K, Afanasenko E, Bacher F, Ting RLX, Zafar A, Blanco-Cabra N, Torrents E, Dömötör O, May NV, Darvasiova D, Enyedy ÉA, Popović-Bijelić A, Reynisson J, Rapta P, Babak MV, Pastorin G, Arion VB. 2019. 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>
    • Reynisson J. 2019. Generation of Quality Hit Matter for Successful Drug Discovery Projects. Molecules, vol. 24(3). link> doi> full text>
    • Zakharenko AL, Luzina OA, Sokolov DN, Kaledin VI, Nikolin VP, Popova NA, Patel J, Zakharova OD, Chepanova AA, Zafar A, Reynisson J, Leung E, Leung IKH, Volcho KP, Salakhutdinov NF, Lavrik OI. 2019. Novel tyrosyl-DNA phosphodiesterase 1 inhibitors enhance the therapeutic impact of topoteсan on in vivo tumor models. European Journal of Medicinal Chemistry, 581-593, vol. 161. link> doi> link>
    • Mozhaitsev E, Suslov E, Demidova Y, Korchagina D, Volcho K, Zakharenko A, Vasil'eva I, Kupryushkin M, Chepanova A, Ayine-Tora DM, Reynisson J, Salakhutdinov N, Lavrik O. 2019. The Development of Tyrosyl-DNA Phosphodyesterase 1 (TDP1) Inhibitors Based on the Amines Combining Aromatic/Heteroaromatic and Monoterpenoid Moieties. LETTERS IN DRUG DESIGN & DISCOVERY, 597-605, vol. 16(5). link> doi>
    • Mozhaitsev ES, Zakharenko AL, Suslov EV, Korchagina DV, Zakharova OD, Vasil'eva IA, Chepanova AA, Black E, Patel J, Chand R, Reynisson J, Leung IKH, Volcho KP, Salakhutdinov NF, Lavrik OI. 2018. Novel Inhibitors of DNA Repair Enzyme TDP1 Combining Monoterpenoid and Adamantane Fragments. Anticancer Agents in Medicinal Chemistry. link> doi>
    • Lam NYS, Truong D, Burmeister H, Babak MV, Holtkamp HU, Movassaghi S, Ayine-Tora DM, Zafar A, Kubanik M, Oehninger L, Söhnel T, Reynisson J, Jamieson SMF, Gaiddon C, Ott I, Hartinger CG. 2018. From Catalysis to Cancer: Toward Structure-Activity Relationships for Benzimidazol-2-ylidene-Derived N-Heterocyclic-Carbene Complexes as Anticancer Agents. Inorganic Chemistry, 14427-14434, vol. 57(22). link> doi>
    • Eurtivong C and Reynisson J. 2018. The Development of a Weighted Index to Optimise Compound Libraries for High Throughput Screening. Molecular Informatics. link> doi> link>
    • Li-Zhulanov NS, Zakharenko AL, Chepanova AA, Patel J, Zafar A, Volcho KP, Salakhutdinov NF, Reynisson J, Leung IKH, Lavrik OI. 2018. 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>
    • Ayine-Tora DM and Reynisson J. 2018. The Utility of Calculated Proton Affinities in Drug Design: A DFT Study. AUSTRALIAN JOURNAL OF CHEMISTRY, 580-586, vol. 71(8). link> doi>
    • Pilkington LI, Yang X, Liu M-W, Hemar Y, Brimble MA, Reynisson J. 2018. A Chemometric Analysis of Compounds from Native New Zealand Medicinal Flora. Chemistry - An Asian Journal. link> doi> link>
    • Zakharova O, Luzina O, Zakharenko A, Sokolov D, Filimonov A, Dyrkheeva N, Chepanova A, Ilina E, Ilyina A, Klabenkova K, Chelobanov B, Stetsenko D, Zafar A, Eurtivong C, Reynisson J, Volcho K, Salakhutdinov N, Lavrik O. 2018. Synthesis and evaluation of aryliden- and hetarylidenfuranone derivatives of usnic acid as highly potent Tdp1 inhibitors. Bioorganic and Medicinal Chemistry, 4470-4480, vol. 26(15). link> doi>
    • Arshad J, Hanif M, Zafar A, Movassaghi S, Tong KKH, Reynisson J, Kubanik M, Waseem A, Sohnel T, Jamieson SMF, Hartinger CG. 2018. Organoruthenium and Organoosmium Complexes o f 2-Pyridinecarbothioamides Functionalized with a Sulfonamide Motif: Synthesis, Cytotoxicity and Biomolecule Interactions. ChemPlusChem, 612-619, vol. 83(7). link> doi> link>
    • Varnava KG, Reynisson J, Raghothama S, Sarojini V. 2018. 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>
    • Salomatina OV, Popadyuk II, Zakharenko AL, Zakharova OD, Fadeev DS, Komarova NI, Reynisson J, Arabshahi HJ, Chand R, Volcho KP, Salakhutdinov NF, Lavrik OI. 2018. Novel Semisynthetic Derivatives of Bile Acids as Effective Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. Molecules, vol. 23(3). link> doi> link> full text>
    • Zafar A, Pilkington LI, Haverkate NA, van Rensburg M, Leung E, Kumara S, Denny WA, Barker D, Alsuraifi A, Hoskins C, Reynisson J. 2018. Investigation into Improving the Aqueous Solubility of the Thieno[2,3-b]pyridine Anti-Proliferative Agents. Molecules, vol. 23(145). doi> full text>
    • Binsaleh NK, Wigley CA, Whitehead KA, van Rensburg M, Reynisson J, Pilkington LI, Barker D, Jones S, Dempsey-Hibbert NC. 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, vol. 143. link> doi> link> full text>
    • Zafar A, Sari S, Leung E, Pilkington LI, van Rensburg M, Barker D, Reynisson J. 2017. GPCR Modulation of Thieno[2,3-b]pyridine Anti-Proliferative Agents. Molecules, vol. 22(12). link> doi> link> full text>
    • Ponomarev KY, Suslov EV, Zakharenko AL, Zakharova OD, Rogachev AD, Korchagina DV, Zafar A, Reynisson J, Nefedov AA, Volcho KP, Salakhutdinov NF, Lavrik OI. 2017. Aminoadamantanes containing monoterpene-derived fragments as potent tyrosyl-DNA phosphodiesterase 1 inhibitors. Bioorganic Chemistry, 392-399, vol. 76. link> doi>
    • Li Y, Zafar A, Kilmartin PA, Reynisson J, Leung IKH. 2017. Development and Application of an NMR-Based Assay for Polyphenol Oxidases. ChemistrySelect, 10435-10441, vol. 2(32). link> doi> link>
    • Bhusal RP, Patel K, Kwai BXC, Swartjes A, Bashiri G, Reynisson J, Sperry J, Leung IKH. 2017. 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>
    • Plażuk D, Wieczorek A, Ciszewski WM, Kowalczyk K, Błauż A, Pawlędzio S, Makal A, Eurtivong C, Arabshahi HJ, Reynisson J, Hartinger CG, Rychlik B. 2017. Synthesis and in vitro Biological Evaluation of Ferrocenyl Side-Chain-Functionalized Paclitaxel Derivatives. ChemMedChem, 1882-1892, vol. 12(22). link> doi>
    • Suslov E, Zarubaev VV, Slita AV, Ponomarev K, Korchagina D, Ayine-Tora DM, Reynisson J, Volcho K, Salakhutdinov N. 2017. Anti-influenza activity of diazaadamantanes combined with monoterpene moieties. Bioorganic and Medicinal Chemistry, 4531-4535, vol. 27(19). link> doi>
    • Bisht R, Jaiswal JK, Oliver VF, Eurtivong C, Reynisson J, Rupenthal ID. 2017. Preparation and evaluation of PLGA nanoparticle-loaded biodegradable light-responsive injectable implants as a promising platform for intravitreal drug delivery. JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY, 142-156, vol. 40. link> doi> link>
    • Sari S, Dalkara S, Kaynak FB, Reynisson J, Saraç S, Karakurt A. 2017. New Anti-Seizure (Arylalkyl)azole Derivatives: Synthesis, In Vivo and In Silico Studies. Arch Pharm (Weinheim), vol. 350(6). link> doi>
    • Mastelić A, Čikeš Čulić V, Režić Mužinić N, Vuica-Ross M, Barker D, Leung EY, Reynisson J, Markotić A. 2017. 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>
    • Zaltariov MF, Hammerstad M, Arabshahi HJ, Jovanović K, Richter KW, Cazacu M, Shova S, Balan M, Andersen NH, Radulović S, Reynisson J, Andersson KK, Arion VB. 2017. New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity. Inorganic Chemistry, 3532-3549, vol. 56(6). link> doi> link>
    • van Rensburg M, Leung E, Haverkate NA, Eurtivong C, Pilkington LI, Reynisson J, Barker D. 2016. Synthesis and antiproliferative activity of 2-chlorophenyl carboxamide thienopyridines. Bioorganic and Medicinal Chemistry, 135-138, vol. 27(2). link> doi>
    • Eurtivong C, Semenov V, Semenova M, Konyushkin L, Atamanenko O, Reynisson J, Kiselyov A. 2016. 3-Amino-thieno[2,3-b]pyridines as microtubule-destabilising agents: Molecular modelling and biological evaluation in the sea urchin embryo and human cancer cells. Bioorganic and Medicinal Chemistry, 658-664, vol. 25(2). link> doi>
    • Huang R, Ayine-Tora DM, Muhammad Rosdi MN, Li Y, Reynisson J, Leung IKH. 2016. Virtual screening and biophysical studies lead to HSP90 inhibitors. Bioorganic and Medicinal Chemistry, 277-281, vol. 27(2). link> doi>
    • Ayine-Tora DM, Kingsford-Adaboh R, Asomaning WA, Harrison JJEK, Mills-Robertson FC, Bukari Y, Sakyi PO, Kaminta S, Reynisson J. 2016. Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action. Molecules, vol. 21(10). link> doi> full text>
    • Pilkington LI, Haverkate NA, Van Rensburg M, Reynisson J, Leung E, Barker D. 2016. Synthesis of 3-Amino-2-carboxamide Tetrahydropyrrolo[2,3-b]quinolines. SYNLETT, 2811-2814, vol. 27(20). link> doi> link>
    • Khomenko T, Zakharenko A, Odarchenko T, Arabshahi HJ, Sannikova V, Zakharova O, Korchagina D, Reynisson J, Volcho K, Salakhutdinov N, Lavrik O. 2016. New inhibitors of tyrosyl-DNA phosphodiesterase I (Tdp 1) combining 7-hydroxycoumarin and monoterpenoid moieties. Bioorganic and Medicinal Chemistry, 5573-5581, vol. 24(21). link> doi>
    • Anderson RF, Yadav P, Shinde SS, Hong CR, Pullen SM, Reynisson J, Wilson WR, Hay MP. 2016. Radical Chemistry and Cytotoxicity of Bioreductive 3-Substituted Quinoxaline Di-N-Oxides. Chemical Research in Toxicology, 1310-1324, vol. 29(8). link> doi>
    • Wieczorek A, Błauż A, Żal A, Arabshahi HJ, Reynisson J, Hartinger CG, Rychlik B, Plażuk D. 2016. Ferrocenyl Paclitaxel and Docetaxel Derivatives: Impact of an Organometallic Moiety on the Mode of Action of Taxanes. Chemistry - A European Journal, 11413-11421, vol. 22(32). link> doi> link>
    • Eurtivong C, Reynisdóttir I, Kuczma S, Furkert DP, Brimble MA, Reynisson J. 2016. Identification of anticancer agents based on the thieno[2,3-b]pyridine and 1H-pyrazole molecular scaffolds. Bioorganic and Medicinal Chemistry, 3521-3526, vol. 24(16). link> doi>
    • Zafar A and Reynisson J. 2016. Hydration Free Energy as a Molecular Descriptor in Drug Design: A Feasibility Study. Molecular Informatics, 207-214, vol. 35(5). link> doi>
    • Reynisson J, Jaiswal JK, Barker D, D'mello SAN, Denny WA, Baguley BC, Leung EY. 2016. 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>
    • Bertelkamp C, Verliefde ARD, Reynisson J, Singhal N, Cabo AJ, de Jonge M, van der Hoek JP. 2016. A predictive multi-linear regression model for organic micropollutants, based on a laboratory-scale column study simulating the river bank filtration process. Journal of Hazardous Materials, 502-511, vol. 304. link> doi> link>
    • Leung E, Pilkington LI, van Rensburg M, Jeon CY, Song M, Arabshahi HJ, De Zoysa GH, Sarojini V, Denny WA, Reynisson J, Barker D. 2016. Synthesis and cytotoxicity of thieno[2,3-b]quinoline-2-carboxamide and cycloalkyl[b]thieno[3,2-e]pyridine-2-carboxamide derivatives. Bioorganic and Medicinal Chemistry, 1142-1154, vol. 24(5). link> doi> link>
    • Matuszek AM and Reynisson J. 2015. Defining Known Drug Space Using DFT. Molecular Informatics, 46-53, vol. 35(2). link> doi>
    • Arabshahi HJ, van Rensburg M, Pilkington LI, Jeon CY, Song M, Gridel L-M, Leung E, Barker D, Vuica-Ross M, Volcho KP, Zakharenko AL, Lavrik OI, Reynisson J. 2015. A synthesis, in silico, in vitro and in vivo study of thieno[2,3-b]pyridine anticancer analogues. MedChemComm, 1987-1997, vol. 6(11). link> doi> link>
    • Zakharenko A, Khomenko T, Zhukova S, Koval O, Zakharova O, Anarbaev R, Lebedeva N, Korchagina D, Komarova N, Vasiliev V, Reynisson J, Volcho K, Salakhutdinov N, Lavrik O. 2015. Synthesis and biological evaluation of novel tyrosyl-DNA phosphodiesterase 1 inhibitors with a benzopentathiepine moiety. Bioorganic and Medicinal Chemistry, 2044-2052, vol. 23(9). link> doi> link>
    • Babak MV, Plażuk D, Meier SM, Arabshahi HJ, Reynisson J, Rychlik B, Błauż A, Szulc K, Hanif M, Strobl S, Roller A, Keppler BK, Hartinger CG. 2015. Half-sandwich ruthenium(II) biotin conjugates as biological vectors to cancer cells. Chemistry, 5110-5117, vol. 21(13). link> doi> link>
    • Babak MV, Meier SM, Huber KVM, Reynisson J, Legin AA, Jakupec MA, Roller A, Stukalov A, Gridling M, Bennett KL, Colinge J, Berger W, Dyson PJ, Superti-Furga G, Keppler BK, Hartinger CG. 2015. 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>
    • Yadav P, Marshall AJ, Reynisson J, Denny WA, Hay MP, Anderson RF. 2014. Fragmentation of the quinoxaline N-oxide bond to the ˙OH radical upon one-electron bioreduction. Chemical Communications, 13729-13731, vol. 50(89). link> doi> link>
    • Robinson E, Leung E, Matuszek AM, Krogsgaard-Larsen N, Furkert DP, Brimble MA, Richardson A, Reynisson J. 2014. Virtual screening for novel Atg5-Atg16 complex inhibitors for autophagy modulation. MedChemComm, 239-246, vol. 6(1). link> doi>
    • Hung JM, Arabshahi HJ, Leung E, Reynisson J, Barker D. 2014. Synthesis and cytotoxicity of thieno[2,3-b]pyridine and furo[2,3-b]pyridine derivatives. European Journal of Medicinal Chemistry, 420-437, vol. 86. link> doi> link>
    • Aman F, Hanif M, Siddiqui WA, Ashraf A, Filak LK, Reynisson J, Soehnel T, Jamieson SMF, Hartinger CG. 2014. Anticancer Ruthenium(eta(6)-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives. ORGANOMETALLICS, 5546-5553, vol. 33(19). link> doi>
    • Anderson RF, Yadav P, Patel D, Reynisson J, Tipparaju SR, Guise CP, Patterson AV, Denny WA, Maroz A, Shinde SS, Hay MP. 2014. Characterisation of radicals formed by the triazine 1,4-dioxide hypoxia-activated prodrug, SN30000. Organic and Biomolecular Chemistry, 3386-3392, vol. 12(21). link> doi>
    • Bertelkamp C, Reungoat J, Cornelissen ER, Singhal N, Reynisson J, Cabo AJ, van der Hoek JP, Verliefde ARD. 2014. Sorption and biodegradation of organic micropollutants during river bank filtration: a laboratory column study. Water Research, 231-241, vol. 52. link> doi>
    • Arabshahi HJ, Leung E, Barker D, Reynisson J. 2013. The development of thieno[2,3-b]pyridine analogues as anticancer agents applying in silico methods. MedChemComm, 186-191, vol. 5(2). link> doi>
    • Leung E, Hung JM, Barker D, Reynisson J. 2013. The effect of a thieno[2,3-b] pyridine PLC-gamma inhibitor on the proliferation, morphology, migration and cell cycle of breast cancer cells. MedChemComm, 99-106, vol. 5(1). link> doi>
    • Ren L, Reynisson J, Perera C, Hemar Y. 2013. The physicochemical properties of a new class of anticancer fungal polysaccharides: a comparative study. Carbohydrate Polymers, 177-187, vol. 97(1). link> doi>
    • Strover LT, Malmstroem J, Laita O, Reynisson J, Aydemir N, Nieuwoudt MK, Williams DE, Dunbar PR, Brimble MA, Travas-Sejdic J. 2013. A new precursor for conducting polymer-based brush interfaces with electroactivity in aqueous solution. POLYMER, 1305-1317, vol. 54(4). link> doi>
    • Hume PA, Brimble MA, Reynisson J. 2013. DNA adduct formation of mitomycin C. A test case for DFT calculations on model systems. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 9-15, vol. 1005. link> doi>
    • Zhu F, Logan G, Reynisson J. 2012. Wine Compounds as a Source for HTS Screening Collections. A Feasibility Study. Mol Inform, 847-855, vol. 31(11-12). link> doi>
    • Drew KLM and Reynisson J. 2012. The impact of carbon-hydrogen bond dissociation energies on the prediction of the cytochrome P450 mediated major metabolic site of drug-like compounds. Eur J Med Chem, 48-55, vol. 56. link> doi>
    • Feng L, Reynisdóttir I, Reynisson J. 2012. The effect of PLC-γ2 inhibitors on the growth of human tumour cells. Eur J Med Chem, 463-469, vol. 54. link> doi>
    • Hargrave-Thomas E, Yu B, Reynisson J. 2012. Serendipity in anticancer drug discovery. World J Clin Oncol, 1-6, vol. 3(1). link> doi>
    • Hume PA, Brimble MA, Reynisson J. 2012. The Bioreductive Alkylation of DNA by Kalafungin: A Theoretical Investigation. AUSTRALIAN JOURNAL OF CHEMISTRY, 402-408, vol. 65(4). link> doi>
    • Drew KLM, Baiman H, Khwaounjoo P, Yu B, Reynisson J. 2012. Size estimation of chemical space: how big is it?. J Pharm Pharmacol, 490-495, vol. 64(4). link> doi>
    • Yu B and Reynisson J. 2011. Bond stability of the "undesirable" heteroatom-heteroatom molecular moieties for high-throughput screening libraries. Eur J Med Chem, 5833-5837, vol. 46(12). link> doi>
    • Arlt VM, Phillips DH, Reynisson J. 2011. Theoretical investigations on the formation of nitrobenzanthrone-DNA adducts. Org Biomol Chem, 6100-6110, vol. 9(17). link> doi>
    • Kim EJ, Matuszek AM, Yu B, Reynisson J. 2011. Theoretical Investigations into the Role of Aryl Nitrenium Ions' Stability on Their Mutagenic Potential. AUSTRALIAN JOURNAL OF CHEMISTRY, 910-915, vol. 64(7). link> doi>
    • Bade R, Chan H-F, Reynisson J. 2010. Characteristics of known drug space. Natural products, their derivatives and synthetic drugs. Eur J Med Chem, 5646-5652, vol. 45(12). link> doi>
    • Cheung KMJ, Reynisson J, McDonald E. 2010. A facile synthesis of pyrazoles with multi-point structural diversity by 1,3-dipolar cycloaddition. TETRAHEDRON LETTERS, 5915-5918, vol. 51(45). link> doi>
    • Reynisson J. 2010. Molecular mechanism of base pairing infidelity during DNA duplication upon one-electron oxidation. World J Clin Oncol, 12-17, vol. 1(1). link> doi>
    • Bouloc N, Large JM, Kosmopoulou M, Sun C, Faisal A, Matteucci M, Reynisson J, Brown N, Atrash B, Blagg J, McDonald E, Linardopoulos S, Bayliss R, Bavetsias V. 2010. Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. Bioorg Med Chem Lett, 5988-5993, vol. 20(20). link> doi>
    • Steenken S and Reynisson J. 2010. DFT calculations on the deprotonation site of the one-electron oxidised guanine-cytosine base pair. Phys Chem Chem Phys, 9088-9093, vol. 12(31). link> doi>
    • Bavetsias V, Large JM, Sun C, Bouloc N, Kosmopoulou M, Matteucci M, Wilsher NE, Martins V, Reynisson J, Atrash B, Faisal A, Urban F, Valenti M, de Haven Brandon A, Box G, Raynaud FI, Workman P, Eccles SA, Bayliss R, Blagg J, Linardopoulos S, McDonald E. 2010. Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J Med Chem, 5213-5228, vol. 53(14). link> doi>
    • Mirza A, Desai R, Reynisson J. 2009. Known drug space as a metric in exploring the boundaries of drug-like chemical space. Eur J Med Chem, 5006-5011, vol. 44(12). link> doi>
    • Reynisson J, Court W, O'Neill C, Day J, Patterson L, McDonald E, Workman P, Katan M, Eccles SA. 2009. The identification of novel PLC-gamma inhibitors using virtual high throughput screening. Bioorg Med Chem, 3169-3176, vol. 17(8). link> doi>
    • Axerio-Cilies P, Castañeda IP, Mirza A, Reynisson J. 2009. Investigation of the incidence of "undesirable" molecular moieties for high-throughput screening compound libraries in marketed drug compounds. Eur J Med Chem, 1128-1134, vol. 44(3). link> doi>
    • Reynisson J, Stiborová M, Martínek V, Gamboa da Costa G, Phillips DH, Arlt VM. 2008. Mutagenic potential of nitrenium ions of nitrobenzanthrones: correlation between theory and experiment. Environ Mol Mutagen, 659-667, vol. 49(8). link> doi>
    • Ioakimidis L, Thoukydidis L, Mirza A, Naeem S, Reynisson J. 2008. Benchmarking the reliability of QikProp. Correlation between experimental and predicted values. QSAR & COMBINATORIAL SCIENCE, 445-456, vol. 27(4). link> doi>
    • Bavetsias V, Sun C, Bouloc N, Reynisson J, Workman P, Linardopoulos S, McDonald E. 2007. Hit generation and exploration: imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases. Bioorg Med Chem Lett, 6567-6571, vol. 17(23). link> doi>
    • Arlt VM, Glatt H, Gamboa da Costa G, Reynisson J, Takamura-Enya T, Phillips DH. 2007. Mutagenicity and DNA adduct formation by the urban air pollutant 2-nitrobenzanthrone. Toxicol Sci, 445-457, vol. 98(2). link> doi>
    • Gurzadyan GG, Reynisson J, Steenken S. 2007. Photoionization versus photoheterolysis of all-trans-retinol. The effects of solvent and laser radiation intensity. Phys Chem Chem Phys, 288-298, vol. 9(2). link> doi>
    • Laursen BW, Reynisson J, Mikkelsen KV, Bechgaard K, Harrit N. 2005. 2,6,10-Tris(dialkylamino)trioxatriangulenium salts: a new promising fluorophore. Ion-pair formation and aggregation in non-polar solvents. Photochem Photobiol Sci, 568-576, vol. 4(8). link> doi>
    • Reynisson J and Steenken S. 2005. The calculated base pairing energy of 8-oxoguanine in the syn-anti conformation with cytosine, thymine, adenine and guanine. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 29-36, vol. 723(1-3). link> doi>
    • Reynisson J and Steenken S. 2005. One-electron reduction of 2-aminopurine in the aqueous phase. A DFT and pulse radiolysis study. Phys Chem Chem Phys, 659-665, vol. 7(4). link> doi>
    • Reynisson J and McDonald E. 2004. Tuning of hydrogen bond strength using substituents on phenol and aniline: a possible ligand design strategy. J Comput Aided Mol Des, 421-431, vol. 18(6). link> doi>
    • Reynisson J and Steenken S. 2004. Hydrogen bonding between histidine and lignin model compounds or redox mediators as calculated with the DFT method. Effects on the ease of oxidation. Org Biomol Chem, 578-584, vol. 2(4). link> doi>
    • Reynisson J and Steenken S. 2003. The complexation energy of the one-electron oxidized guanine-cytosine base pair and its parent system with small cations. A DFT-study. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 133-139, vol. 635. link> doi>
    • Reynisson J, Schuster GB, Howerton SB, Williams LD, Barnett RN, Cleveland CL, Landman U, Harrit N, Chaires JB. 2003. Intercalation of trioxatriangulenium ion in DNA: binding, electron transfer, x-ray crystallography, and electronic structure. J Am Chem Soc, 2072-2083, vol. 125(8). link> doi>
    • Reynisson J and Steenken S. 2002. DNA-base radicals. Their base pairing abilities as calculated by DFT. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 5346-5352, vol. 4(21). link> doi>
    • Reynisson J, Wilbrandt R, Brinck V, Laursen BW, Nørgaard K, Harrit N, Brouwer AM. 2002. Photophysics of trioxatriangulenium ion. electrophilic reactivity in the ground state and excited singlet state. Photochem Photobiol Sci, 763-773, vol. 1(10). link> doi>
    • Reynisson J and Steenken S. 2002. DFT calculations on the electrophilic reaction with water of the guanine and adenine radical cations. A model for the situation in DNA. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 527-532, vol. 4(3). link> doi>
    • Reynisson J and Steenken S. 2002. DFT studies on the pairing abilities of the one-electron reduced or oxidized adenine-thymine base pair. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 5353-5358, vol. 4(21). link> doi>
    • Bernhard K, Geimer J, Canle-Lopez M, Reynisson J, Beckert D, Gleiter R, Steenken S. 2001. Photo- and radiation-chemical formation and electrophilic and electron transfer reactivities of enolether radical cations in aqueous solution. Chemistry, 4640-4650, vol. 7(21). link> doi>
    • Steenken S, Jovanovic SV, Candeias LP, Reynisson J. 2001. Is "frank" DNA-strand breakage via the guanine radical thermodynamically and sterically possible?. Chemistry, 2829-2833, vol. 7(13). link> doi>
    • Reynisson J, Vejby-Christensen L, Wilbrandt R, Harrit N, Berg RH. 2001. Structural properties of DNO investigated with pyrene excimer formation. (vol 6, pg 603, 2000). JOURNAL OF PEPTIDE SCIENCE, 395, vol. 7(7). link>
    • Reynisson J, Vejby-Christensen L, Wilbrandt R, Harrit N, Berg RH. 2000. Structural properties of DNO investigated with pyrene excimer formation. JOURNAL OF PEPTIDE SCIENCE, 603-611, vol. 6(12). link> doi>
    • Reynisson J, Balakrishnan G, Wilbrandt R, Harrit N. 2000. Vibrational spectroscopic and quantum chemical studies of the trioxatriangulenium carbocation. JOURNAL OF MOLECULAR STRUCTURE, 63-73, vol. 520. link> doi>
    • Reynisson J, Vejby-Christensen L, Wilbrandt R, Harrit N, Berg RH. 2000. Structural properties of DNO investigated with pyrene excimer formation. J Pept Sci, 603-611, vol. 6(12). link> doi>
    • Evans CH, Reynisson J, Geirsson JKF, Kvaran A, McGimpsey WG. 1998. Photochemistry of substituted methyl-alpha-arylcinnamates: ortho- and para-substitution. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 57-61, vol. 115(1). link> doi>
    • Giersson JKF, Johannesdottir JF, Reynisson J. 1997. Reactions of 1-aza-1,3-butadienes. An expedient synthesis of unsymmetrically substituted N-benzyl-1,4-dihydropyridines and N-benzyl-1,4-dihydronicotinamides. ACTA CHEMICA SCANDINAVICA, 348-350, vol. 51(3). link> doi>

    Other

    • Broughton C, Edwards K, Whitehead K, Van Rensburg M, Pilkington L, Reynisson J, Barker D, Dempsey-Hibbert N. 2020. Novel synthetic thienopyridine derivatives induce tubulin disruption and cell cycle arrest in malignant B cells with level of activity related to their chemical structure. British Journal of Haematology (pp. 227-228, vol. 189). Wiley. link> doi> link>
    • Barker D, Pilkington L, van Rensburg M, Haverkate N, Reynisson J, Denny W, Leung E. 2018. Development of thienopyridines as potent antiproliferative agents. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (vol. 256). link>
    • 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 (vol. 256). link>
    • Bhusal R, Patel K, Kwai B, Bashiri G, Reynisson J, Sperry J, Leung I. 2018. Targeting isocitrate lyase for the treatments of tuberculosis. FEBS OPEN BIO (p. 277, vol. 8). link>
    • Bhusal R, Patel K, Kwai B, Bashiri G, Reynisson J, Sperry J, Leung I. 2017. 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>
    • Kingsford-Adaboh R, Moscoh D, Reynisson J. 2017. Coumarin antifungal lead compounds, predicted mechanism of action. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (p. C406, vol. 73). link> doi>
    • Muzinic NR, Mastelic A, Markotic A, Culic VC, Ross A, Vuica-Ross M, Barker D, Reynisson J. 2014. 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>
    • Onundi YB, Swift S, Wright LJ, Reynisson J, Singhal N. 2014. Transformation of Bisphenol A, triclosan, and nonylphenol by the Fe-TAML/H2O2 system. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (vol. 248). link>
    • Kingsford-Adaboh R, Moscoh D, Reynisson J. 2014. Coumarin antifungal lead compounds, predicted mechanism of action. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (p. C406, vol. 70). link>
    • Arlt VM, Stiborova M, Martinek V, Da Costa GG, Phillips DH, Reynisson J. 2009. Mutagenic potential of nitrenium ions of nitrobenzanthrones: correlation between theory and experiment. MUTAGENESIS (p. 106, vol. 24). link>
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