Outputs (86)

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.

Identification of Isoform-Selective Ligands for the Middle Domain of Heat Shock Protein 90 (Hsp90) (2019)
Journal Article
Reynisson. (2019). Identification of Isoform-Selective Ligands for the Middle Domain of Heat Shock Protein 90 (Hsp90). International Journal of Molecular Sciences, https://doi.org/10.3390/ijms20215333

The molecular chaperone heat shock protein 90 (Hsp90) is a current inhibition target for the treatment of diseases, including cancer. In humans, there are two major cytosolic isoforms of Hsp90 (Hsp90a and Hsp90ß). Hsp90a is inducible and Hsp90ß is co... Read More about Identification of Isoform-Selective Ligands for the Middle Domain of Heat Shock Protein 90 (Hsp90).

New Hydrazinothiazole Derivatives of Usnic Acid as Potent Tdp1 Inhibitors. (2019)
Journal Article
Reynisson, J. (2019). New Hydrazinothiazole Derivatives of Usnic Acid as Potent Tdp1 Inhibitors. Molecules, https://doi.org/10.3390/molecules24203711

Tyrosyl-DNA phosphodiesterase 1 (Tdp1) is a promising therapeutic target in cancer therapy. Combination chemotherapy using Tdp1 inhibitors as a component can potentially improve therapeutic response to many chemotherapeutic regimes. A new set of usni... Read More about New Hydrazinothiazole Derivatives of Usnic Acid as Potent Tdp1 Inhibitors..

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.

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/molecules23102468

Tyrosyl-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..

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/pep2.24076

This 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.