Monoterpene substituted thiazolidin-4-ones as novel TDP1 inhibitors: Synthesis, biological evaluation and docking. (2022)
Journal Article
Reynisson. (2022). Monoterpene substituted thiazolidin-4-ones as novel TDP1 inhibitors: Synthesis, biological evaluation and docking. Bioorganic and Medicinal Chemistry Letters, https://doi.org/10.1016/j.bmcl.2022.128909

Tyrosyl-DNA phosphodiesterase 1(TDP1) is a promising target for a new therapy in oncological disease as an adjunct to topoisomerase 1 (TOP1) drugs. In this paper, novel thiazolidin-4-one derivatives with a benzyl and monoterpene substituents were syn... Read More about Monoterpene substituted thiazolidin-4-ones as novel TDP1 inhibitors: Synthesis, biological evaluation and docking..

Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70. (2022)
Journal Article
Reynisson. (2022). Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70. Molecules, https://doi.org/10.3390/molecules27030817

Heat Shock Protein 70s (HSP70s) are key molecular chaperones that are overexpressed in many cancers and often associated with metastasis and poor prognosis. It has proven difficult to develop ATP-competitive, drug-like small molecule inhibitors of HS... Read More about Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70..

Sweet targets: sugar nucleotide biosynthesis inhibitors. (2022)
Journal Article
Ahmadipour, S., Reynisson, J., Field, R. A., & Miller, G. J. (2022). Sweet targets: sugar nucleotide biosynthesis inhibitors. Future Medicinal Chemistry, 14(5), 295-298. https://doi.org/10.4155/fmc-2021-0286

'Editorial Material'

New Deoxycholic Acid Derived Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Also Inhibit Tyrosyl-DNA Phosphodiesterase 2. (2021)
Journal Article
Reynisson. (2021). New Deoxycholic Acid Derived Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Also Inhibit Tyrosyl-DNA Phosphodiesterase 2. Molecules, https://doi.org/10.3390/molecules27010072

A series of deoxycholic acid (DCA) amides containing benzyl ether groups on the steroid core were tested against the tyrosyl-DNA phosphodiesterase 1 (TDP1) and 2 (TDP2) enzymes. In addition, 1,2,4- and 1,3,4-oxadiazole derivatives were synthesized to... Read More about New Deoxycholic Acid Derived Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Also Inhibit Tyrosyl-DNA Phosphodiesterase 2..

Validating TDP1 as an Inhibition Target for the Development of Chemosensitizers for Camptothecin-Based Chemotherapy Drugs. (2021)
Journal Article
Reynisson, J. (2021). Validating TDP1 as an Inhibition Target for the Development of Chemosensitizers for Camptothecin-Based Chemotherapy Drugs. Oncology and Therapy,

Cancer chemotherapy sensitizers hold the key to maximizing the potential of standard anticancer treatments. We have a long-standing interest in developing and validating inhibitors of the DNA repair enzyme tyrosyl-DNA phosphodiesterase 1 (TDP1) as ch... Read More about Validating TDP1 as an Inhibition Target for the Development of Chemosensitizers for Camptothecin-Based Chemotherapy Drugs..

Discovery of Novel Sultone Fused Berberine Derivatives as Promising Tdp1 Inhibitors. (2021)
Journal Article
Reynisson. (2021). Discovery of Novel Sultone Fused Berberine Derivatives as Promising Tdp1 Inhibitors. Molecules, https://doi.org/10.3390/molecules26071945

A new type of berberine derivatives was obtained by the reaction of berberrubine with aliphatic sulfonyl chlorides. The new polycyclic compounds have a sultone ring condensed to C and D rings of a protoberberine core. The reaction conditions were dev... Read More about Discovery of Novel Sultone Fused Berberine Derivatives as Promising Tdp1 Inhibitors..

Advances in Anticancer Drug Discovery (2021)
Journal Article
Reynisson. (2021). Advances in Anticancer Drug Discovery. Molecules, https://doi.org/10.3390/molecules26071821

Editorial.

The First Berberine-Based Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 (Tdp1), an Important DNA Repair Enzyme. (2020)
Journal Article
Reynisson. (2020). The First Berberine-Based Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 (Tdp1), an Important DNA Repair Enzyme. International Journal of Molecular Sciences, https://doi.org/10.3390/ijms21197162

A series of berberine and tetrahydroberberine sulfonate derivatives were prepared and tested against the tyrosyl-DNA phosphodiesterase 1 (Tdp1) DNA-repair enzyme. The berberine derivatives inhibit the Tdp1 enzyme in the low micromolar range; this is... Read More about The First Berberine-Based Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 (Tdp1), an Important DNA Repair Enzyme..

A Multitargeted Approach in the Discovery of an Organorhodium Anticancer Agent Based On Vorinostat as a Potent Histone Deacetylase Inhibitor. (2020)
Journal Article
Reynisson. (2020). A Multitargeted Approach in the Discovery of an Organorhodium Anticancer Agent Based On Vorinostat as a Potent Histone Deacetylase Inhibitor. Angewandte Chemie International Edition, https://doi.org/10.1002/anie.202005758

The combination of more than one bioactive moiety in a mulitargeted anticancer agent may result in synergistic activity of its components. Using this concept, bioorganometallic compounds were designed to feature a metal center, a 2-pyridinecarbothioa... Read More about A Multitargeted Approach in the Discovery of an Organorhodium Anticancer Agent Based On Vorinostat as a Potent Histone Deacetylase Inhibitor..

Exploring anomeric glycosylation of phosphoric acid: Optimisation and scope for non-native substrates. (2019)
Journal Article
Beswick, L., Ahmadipour, S., Hofman, G., Wootton, H., Dimitriou, E., Reynisson, J., …Miller, G. J. (2020). Exploring anomeric glycosylation of phosphoric acid: Optimisation and scope for non-native substrates. Carbohydrate Research, 488, 107896. https://doi.org/10.1016/j.carres.2019.107896

'No abstract'

Discovery and Characterisation of Dual Inhibitors of Tryptophan 2,3-Dioxygenase (TDO2) and Indoleamine 2,3-Dioxygenase 1 (IDO1) Using Virtual Screening (2019)
Journal Article
Reynisson. (2019). Discovery and Characterisation of Dual Inhibitors of Tryptophan 2,3-Dioxygenase (TDO2) and Indoleamine 2,3-Dioxygenase 1 (IDO1) Using Virtual Screening. Molecules, https://doi.org/10.3390/molecules24234346

Cancers express tryptophan catabolising enzymes indoleamine 2,3-dioxygenase 1 (IDO1) and tryptophan 2,3-dioxygenase (TDO2) to produce immunosuppressive tryptophan metabolites that undermine patients' immune systems, leading to poor disease outcomes.... Read More about Discovery and Characterisation of Dual Inhibitors of Tryptophan 2,3-Dioxygenase (TDO2) and Indoleamine 2,3-Dioxygenase 1 (IDO1) Using Virtual Screening.

Discovery of novel phosphatidylcholine-specific phospholipase C drug-like inhibitors as potential anticancer agents. (2019)
Journal Article
Reynisson. (2019). Discovery of novel phosphatidylcholine-specific phospholipase C drug-like inhibitors as potential anticancer agents. European Journal of Medicinal Chemistry, 111919 - ?. https://doi.org/10.1016/j.ejmech.2019.111919

Phosphatidylcholine-specific phospholipase C (PC-PLC) is a promising target for new anticancer treatment. Herein, we report our work in the discovery of novel drug-like PC-PLC inhibitors. Virtual screening led to the identification of promising hits... Read More about Discovery of novel phosphatidylcholine-specific phospholipase C drug-like inhibitors as potential anticancer agents..

The cytotoxic potential of cationc triangulenes against tumour cells (2019)
Journal Article
Reynisson. (2019). The cytotoxic potential of cationc triangulenes against tumour cells. MedChemComm, 1881-1891. https://doi.org/10.1039/C9MD00305C

TOTA (trioxatriangulenium ion) is a close-shelled carbocation known to intercalate strongly with the DNA double helix (J. Reynisson, G. B. Schuster, S. B. Howerton, L. D. Williams, R. N. Barnett, C. L. Cleveland, U. Landman, N. Harrit, J. B. Chaires,... Read More about The cytotoxic potential of cationc triangulenes against tumour cells.

Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2 (2019)
Journal Article
Reynisson. (2019). Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2. Nature communications, 4639 - ?. https://doi.org/10.1038/s41467-019-12614-7

Isocitrate lyase is important for lipid utilisation by Mycobacterium tuberculosis but its ICL2 isoform is poorly understood. Here we report that binding of the lipid metabolites acetyl-CoA or propionyl-CoA to ICL2 induces a striking structural rearra... Read More about Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.

The Development of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. Combination of Monoterpene and Adamantine Moieties via Amide or Thioamide Bridges (2019)
Journal Article
Reynisson. (2019). The Development of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. Combination of Monoterpene and Adamantine Moieties via Amide or Thioamide Bridges. Applied Sciences, 2767 -2767. https://doi.org/10.3390/app9132767

Eleven amide and thioamide derivatives with monoterpene and adamantine substituents were synthesised. They were tested for their activity against the tyrosyl-DNA phosphodiesterase 1 DNA (Tdp1) repair enzyme with the most potent compound 47a, having a... Read More about The Development of Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. Combination of Monoterpene and Adamantine Moieties via Amide or Thioamide Bridges.

Antifungal screening and in silico mechanistic studies of an in-house azole library (2019)
Journal Article
Reynisson. (2019). Antifungal screening and in silico mechanistic studies of an in-house azole library. Chemical Biology & Drug Design, https://doi.org/10.1111/cbdd.13587

Systemic Candida infections pose a serious public health problem with high morbidity and mortality. C. albicans is the major pathogen identified in candidiasis, however non-albicans Candida spp. with antifungal resistance are now more prevalent. Azol... Read More about Antifungal screening and in silico mechanistic studies of an in-house azole library.

Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-5 (2019)
Journal Article
Reynisson. (2019). Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-5. Molecules, https://doi.org/10.3390/molecules24132415

Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of Editorials which is published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules. In these Edito... Read More about Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-5.

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/molecules23010145

It 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.