Multi-Armed 1,2,3-Selenadiazole and 1,2,3-Thiadiazole Benzene Derivatives as Novel Glyoxalase-I Inhibitors.
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ID: 64106
2019
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Abstract
Glyoxalase-I (Glo-I) enzyme was established to be a valid target for anticancer drug design. It performs the essential detoxification step of harmful byproducts, especially methylglyoxal. A robust computer-aided drug design approach was used to design and validate a series of compounds with selenium or sulfur based heterorings. A series of in-house multi-armed 1,2,3-selenadiazole and 1,2,3-thiadiazole benzene derivatives were tested for their Glo-I inhibitory activity. Results showed that these compounds bind Glo-I active sites competitively with strong potential to inhibit this enzyme with IC values in micro-molar concentration. Docking poses revealed that these compounds interact with the zinc atom at the bottom of the active site, which plays an essential role in its viability.
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albalas2019multiarmedmolecules
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| Authors | Al-Balas, Qosay A;Al-Smadi, Mousa L;Hassan, Mohammad A;Al Jabal, Ghazi A;Almaaytah, Ammar M;Alzoubi, Karem H; |
| Journal | molecules |
| Year | 2019 |
| DOI |
E3210
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