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• W2022752874 startingPage "1606" @default.
• W2022752874 abstract "Crystal structures of three small molecular scaffolds based on quinoline, 2-methylquinoline-5,8-dione, 5-hydroxy-quinaldine-6-carboxylic acid and 8-hydroxy-quinaldine-7-carboxylic acid, were characterised. 5-Hydroxy-quinaldine-6-carboxylic acid was co-crystallized with cobalt(II) chloride to form a model of divalent metal cation–ligand interactions for potential HIV integrase inhibitors. Molecular docking into active site of HIV IN was also performed on 1WKN PDB file. Selected ligand–protein interactions have been found specific for active compounds. Studied structures can be used as scaffolds in fragment-based design of new potent drugs." @default.
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• W2022752874 date "2011-03-01" @default.
• W2022752874 modified "2023-10-14" @default.
• W2022752874 title "X-ray and molecular modelling in fragment-based design of three small quinoline scaffolds for HIV integrase inhibitors" @default.
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• W2022752874 doi "https://doi.org/10.1016/j.bmc.2011.01.045" @default.
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