Intermolecular interactions in the crystal structures of potential HIV-1 integrase inhibitors |
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Authors: | Majerz-Maniecka Katarzyna Musiol Robert Nitek Wojciech Oleksyn Barbara J Mouscadet Jean-Francois Le Bret Marc Polanski Jaroslaw |
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Institution: | Faculty of Chemistry, Jagiellonian University, ul. R. Ingardena 3, 30-060 Kraków, Poland. majerz@chemia.uj.edu.pl |
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Abstract: | 2-(2,5-dichloro-4-nitro-phenylamino)-methoxy-methyl]-8-hydroxy-quinoline 1 and 2-methyl-quinoline-5,8-dione-5-oxime 2 were obtained as potential HIV-1 integrase inhibitors and analyzed by X-ray crystallography. Semiempirical theoretical calculations of energy preferred conformations were also carried out. The crystal structures of both compounds are stabilized via hydrogen bonds and pi-pi stacking interactions. The planarity of compound 1 is caused by intramolecular hydrogen bonds. |
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