Outputs (8)

Correction: Virtual screening, identification and in vitro validation of small molecule GDP-mannose dehydrogenase inhibitors (2024)
Journal Article
Dolan, J. P., Ahmadipour, S., Wahart, A. J. C., Cheallaigh, A. N., Sari, S., Eurtivong, C., …Miller, G. J. (in press). Correction: Virtual screening, identification and in vitro validation of small molecule GDP-mannose dehydrogenase inhibitors. RSC Chemical Biology, https://doi.org/10.1039/d4cb90026j

Correction for ‘Virtual screening, identification and in vitro validation of small molecule GDP-mannose dehydrogenase inhibitors’ by Jonathan P. Dolan et al., RSC Chem. Biol., 2023, 4, 865–870, https://doi.org/10.1039/D3CB00126A.

Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization? † (2024)
Journal Article
Besleaga, I., Raptová, R., Stoica, A.-C., Milunovic, M. N. M., Zalibera, M., Bai, R., …Arion, V. B. (in press). Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization? †. Dalton Transactions, https://doi.org/10.1039/d4dt01469c

Quite recently we discovered that copper(ii) complexes with isomeric morpholine-thiosemicarbazone hybrid ligands show good cytotoxicity in cancer cells and that the molecular target responsible for this activity might be tubulin. In order to obtain b... Read More about Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization? †.

Accessing active fragments for drug discovery utilising nitroreductase biocatalysis. (2024)
Journal Article
Holder, L., Yuce, E., Oriomah, G., Jenkins, A.-P., Reynisson, J., Winter, A., & Cosgrove, S. (in press). Accessing active fragments for drug discovery utilising nitroreductase biocatalysis. ChemBioChem, Article e202400428. https://doi.org/10.1002/cbic.202400428

Biocatalysis has played a limited role in the early stages of drug discovery. This is often attributed to the limited substrate scope of enzymes not affording access to vast areas of novel chemical space. Here, we have shown a promiscuous nitroreduct... Read More about Accessing active fragments for drug discovery utilising nitroreductase biocatalysis..

Deciphering the Interplay: Thieno[2,3- b ]pyridine’s Impact on Glycosphingolipid Expression, Cytotoxicity, Apoptosis, and Metabolomics in Ovarian Tumor Cell Lines (2024)
Journal Article
Odak, Z., Marijan, S., Radan, M., Pilkington, L. I., Čikeš Botić, M., Barker, D., …Čikeš Čulić, V. (in press). Deciphering the Interplay: Thieno[2,3- b ]pyridine’s Impact on Glycosphingolipid Expression, Cytotoxicity, Apoptosis, and Metabolomics in Ovarian Tumor Cell Lines. International Journal of Molecular Sciences, 25(13), Article 6954. https://doi.org/10.3390/ijms25136954

Ovarian cancer is among the most prevalent causes of mortality among women. Despite improvements in diagnostic methods, non-specific symptoms and delayed gynecological exams can lead to late-stage ovarian tumor discovery. In this study, the effect of... Read More about Deciphering the Interplay: Thieno[2,3- b ]pyridine’s Impact on Glycosphingolipid Expression, Cytotoxicity, Apoptosis, and Metabolomics in Ovarian Tumor Cell Lines.

Suppressed basal mitophagy drives cellular aging phenotypes that can be reversed by a p62-targeting small molecule. (2024)
Journal Article
Kelly, G., Kataura, T., Panek, J., Ma, G., Salmonowicz, H., Davis, A., …Korolchuk, V. I. (2024). Suppressed basal mitophagy drives cellular aging phenotypes that can be reversed by a p62-targeting small molecule. Developmental Cell, 59, 1-16. https://doi.org/10.1016/j.devcel.2024.04.020

Selective degradation of damaged mitochondria by autophagy (mitophagy) is proposed to play an important role in cellular homeostasis. However, the molecular mechanisms and the requirement of mitochondrial quality control by mitophagy for cellular phy... Read More about Suppressed basal mitophagy drives cellular aging phenotypes that can be reversed by a p62-targeting small molecule..

Copper(II) Complexes with Isomeric Morpholine-Substituted 2-Formylpyridine Thiosemicarbazone Hybrids as Potential Anticancer Drugs Inhibiting Both Ribonucleotide Reductase and Tubulin Polymerization: The Morpholine Position Matters (2024)
Journal Article
Milunovic, M. N. M., Ohui, K., Besleaga, I., Petrasheuskaya, T. V., Dömötör, O., Enyedy, É. A., …Arion, V. B. (in press). Copper(II) Complexes with Isomeric Morpholine-Substituted 2-Formylpyridine Thiosemicarbazone Hybrids as Potential Anticancer Drugs Inhibiting Both Ribonucleotide Reductase and Tubulin Polymerization: The Morpholine Position Matters. Journal of Medicinal Chemistry, https://doi.org/10.1021/acs.jmedchem.4c00259

The development of copper(II) thiosemicarbazone complexes as potential anticancer agents, possessing dual functionality as inhibitors of R2 ribonucleotide reductase (RNR) and tubulin polymerization by binding at the colchicine site, presents a promis... Read More about Copper(II) Complexes with Isomeric Morpholine-Substituted 2-Formylpyridine Thiosemicarbazone Hybrids as Potential Anticancer Drugs Inhibiting Both Ribonucleotide Reductase and Tubulin Polymerization: The Morpholine Position Matters.

New Dual Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 and 2 Based on Deoxycholic Acid: Design, Synthesis, Cytotoxicity, and Molecular Modeling (2024)
Journal Article
Salomatina, O. V., Kornienko, T. E., Zakharenko, A. L., Komarova, N. I., Achara, C., Reynisson, J., …Volcho, K. P. (in press). New Dual Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 and 2 Based on Deoxycholic Acid: Design, Synthesis, Cytotoxicity, and Molecular Modeling. Molecules, 29(3), Article 581. https://doi.org/10.3390/molecules29030581

Deoxycholic acid derivatives containing various heterocyclic functional groups at C-3 on the steroid scaffold were designed and synthesized as promising dual tyrosyl-DNA phosphodiesterase 1 and 2 (TDP1 and TDP2) inhibitors, which are potential target... Read More about New Dual Inhibitors of Tyrosyl-DNA Phosphodiesterase 1 and 2 Based on Deoxycholic Acid: Design, Synthesis, Cytotoxicity, and Molecular Modeling.

Synthesis of adamantane-monoterpene conjugates with 1,3,4-thiadiazol-2(3H)-imine linker and evaluation of their inhibitory activity against TDP1 (2024)
Journal Article
Munkuev, A. A., Zakharenko, A. L., Kornienko, T. E., Dyrkheeva, N. S., Ilina, E. S., Suslov, E. V., …Lavrik, O. I. (2024). Synthesis of adamantane-monoterpene conjugates with 1,3,4-thiadiazol-2(3H)-imine linker and evaluation of their inhibitory activity against TDP1. Medicinal Chemistry Research, 33(2), 324-335. https://doi.org/10.1007/s00044-023-03184-x

Tyrosyl-DNA phosphodiesterase 1 (TDP1) is a DNA repair enzyme that can reduce the efficacy of some anticancer drugs targeting topoisomerase 1 (TOP1) making it a promising target for antitumor therapy when combined with TOP1 poisons. Here we describe... Read More about Synthesis of adamantane-monoterpene conjugates with 1,3,4-thiadiazol-2(3H)-imine linker and evaluation of their inhibitory activity against TDP1.