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• W2989035805 abstract "Ecto-5′-nucleotidase (ecto-5′-NT, CD73) is a zinc-binding metallophosphatase that plays a key role in extracellular purinergic pathways, being implicated in several physiological and pathophysiological processes, such as immune homeostasis, inflammation, and tumor progression. As such, it has been recognized as a promising biological target for many diseases, including cancer, infections, and autoimmune diseases. Despite its importance, so far only a few inhibitors of this target enzyme are known, most of which are not suitable as drug candidates. Here, we aimed to search for hydroxamic acid-containing compounds as potential human ecto-5′-NT inhibitors, since this group is known to be a strong zinc chelator. To this end, we performed a hierarchical virtual screening (VS) search consisting of three consecutive steps (filtering for compounds bearing a hydroxamic acid group, shape-based matching, and docking followed by visual inspection), which were applied to screen the ZINC-14 database (“all purchasable subset”). Out of 25 compounds selected by this VS protocol, 12 were acquired and further submitted to enzymatic assays for VS experimental validation. Four of them (i.e., 33.3%) were found to inhibit human ecto-5′-NT in the low micromolar range. The most potent one showed an IC50 value of 6.2 ± 1.0 μM. All identified inhibitors satisfy drug-like criteria and provide novel scaffolds to be explored in further hit-to-lead optimization steps. Furthermore, to the best of our knowledge, they are the first hydroxamic acid-containing inhibitors of human ecto-5′-NT described so far." @default.
• W2989035805 created "2019-11-22" @default.
• W2989035805 creator A5021479835 @default.
• W2989035805 creator A5056065030 @default.
• W2989035805 creator A5067506959 @default.
• W2989035805 creator A5079599389 @default.
• W2989035805 date "2019-11-12" @default.
• W2989035805 modified "2023-10-13" @default.
• W2989035805 title "Virtual Screening Approach for the Identification of Hydroxamic Acids as Novel Human Ecto-5′-Nucleotidase Inhibitors" @default.
• W2989035805 cites W1513653241 @default.
• W2989035805 cites W1532514630 @default.
• W2989035805 cites W1674891863 @default.
• W2989035805 cites W1976355127 @default.
• W2989035805 cites W1989856356 @default.
• W2989035805 cites W1995321301 @default.
• W2989035805 cites W1995570889 @default.
• W2989035805 cites W1998954104 @default.
• W2989035805 cites W2008732224 @default.
• W2989035805 cites W2009104337 @default.
• W2989035805 cites W2025816743 @default.
• W2989035805 cites W2026265322 @default.
• W2989035805 cites W2027065525 @default.
• W2989035805 cites W2027482274 @default.
• W2989035805 cites W2043509228 @default.
• W2989035805 cites W2046345187 @default.
• W2989035805 cites W2049660674 @default.
• W2989035805 cites W2052030759 @default.
• W2989035805 cites W2056959697 @default.
• W2989035805 cites W2059991819 @default.
• W2989035805 cites W2062761137 @default.
• W2989035805 cites W2066318878 @default.
• W2989035805 cites W2070915732 @default.
• W2989035805 cites W2074682587 @default.
• W2989035805 cites W2075186867 @default.
• W2989035805 cites W2078374001 @default.
• W2989035805 cites W2081771891 @default.
• W2989035805 cites W2082539152 @default.
• W2989035805 cites W2086335229 @default.
• W2989035805 cites W2086556660 @default.
• W2989035805 cites W2087966689 @default.
• W2989035805 cites W2090431249 @default.
• W2989035805 cites W2114044831 @default.
• W2989035805 cites W2130345533 @default.
• W2989035805 cites W2137446515 @default.
• W2989035805 cites W2139727788 @default.
• W2989035805 cites W2145829976 @default.
• W2989035805 cites W2151070736 @default.
• W2989035805 cites W2159945718 @default.
• W2989035805 cites W2161546085 @default.
• W2989035805 cites W2168786562 @default.
• W2989035805 cites W2176516200 @default.
• W2989035805 cites W2260065370 @default.
• W2989035805 cites W2266408649 @default.
• W2989035805 cites W2270180142 @default.
• W2989035805 cites W2276522360 @default.
• W2989035805 cites W2288721621 @default.
• W2989035805 cites W2325534742 @default.
• W2989035805 cites W2328548261 @default.
• W2989035805 cites W2342094689 @default.
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• W2989035805 cites W2585774804 @default.
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• W2989035805 cites W2769014629 @default.
• W2989035805 cites W2775305542 @default.
• W2989035805 cites W2795615449 @default.
• W2989035805 cites W2795911027 @default.
• W2989035805 cites W2801780797 @default.
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• W2989035805 cites W2884203839 @default.
• W2989035805 cites W2903910853 @default.
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• W2989035805 cites W2923915955 @default.
• W2989035805 cites W2945715301 @default.
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• W2989035805 doi "https://doi.org/10.1021/acs.jcim.9b00884" @default.
• W2989035805 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31714079" @default.
• W2989035805 hasPublicationYear "2019" @default.
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