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Vitamin B3-based biologically active compounds as inhibitors of human cholinesterases [Elektronski vir]Zandona, Antonio ...We evaluated the potential of nine vitamin B3 scaffold-based derivatives as acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors, as a starting point for the development of novel ... drugs for treating disorders with cholinergic neurotransmission-linked pathology. As the results indicate, all compounds reversibly inhibited both enzymes in the micromolar range pointing to the preference of AChE over BChE for binding the tested derivatives. Molecular docking studies revealed the importance of interactions with AChE active site residues Tyr337 and Tyr124, which dictated most of the observed differences. The most potent inhibitor of both enzymes with Ki of 4 [micro]M for AChE and 8 [micro]M for BChE was the nicotinamide derivative 1-(4'-phenylphenacyl)-3-carbamoylpyridinium bromide. Such a result places it within the range of several currently studied novel cholinesterase inhibitors. Cytotoxicity profiling did not classify this compound as highly toxic, but the induced effects on cells should not be neglected in any future detailed studies and when considering this scaffold for drug development.Source: International journal of molecular sciences [Elektronski vir]. - ISSN 1422-0067 (Vol. 21, iss. 21, 2020, str. 1-19)Type of material - e-article ; adult, seriousPublish date - 2020Language - englishCOBISS.SI-ID - 34885635
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Database name | Field | Year |
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Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
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Zandona, Antonio | |
Lihtar, Gabriela | |
Maraković, Nikola | 52634 |
Miš, Katarina | 19318 |
Bušić, Valentina | |
Gašo-Sokač, Dajana | |
Pirkmajer, Sergej | 28351 |
Katalinić, Maja |
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