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.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Crystallization
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Crystallography, X-Ray
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HIV Integrase / drug effects*
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HIV Integrase Inhibitors / chemistry*
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HIV Integrase Inhibitors / pharmacology*
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Models, Molecular
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Molecular Structure
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Quinolines / chemistry*
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Quinolines / pharmacology*
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Structure-Activity Relationship
Substances
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2-((2,5-dichloro-4-nitrophenylamino)methoxymethyl)8-hydroxyquinoline
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2-methylquinoline-5,8-dione-5-oxime
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HIV Integrase Inhibitors
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Quinolines
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HIV Integrase