Quantum-chemical and ir spectroscopic analysis of aminophenol derivatives with antiviral activity

Autor:	V. L. Sorokin, G. A. Ksendzovac, O. K. Bazyl, V. Ya. Artyukhov, Oleg I. Shadyro, M. V. Belkov, Georgy V. Mayer, G. B. Tolstorozhev, I. V. Skornyakov
Rok vydání:	2012
Předmět:	Quantum chemical chemistry Computational chemistry Hydrogen bond Organic chemistry Infrared spectroscopy chemistry.chemical_element Amine gas treating Fourier spectrum Condensed Matter Physics Oxygen Spectroscopy
Zdroj:	Journal of Applied Spectroscopy. 79:687-694
ISSN:	1573-8647 0021-9037
DOI:	10.1007/s10812-012-9658-3
Popis:	Bioactive carbonyl- and sulfonyl-derivatives of aminophenols were studied. The proton-acceptor abilities of the aminophenols were estimated using a molecular electrostatic potential method. IR Fourier spectra of the aminophenols with different substituents on the amine were measured in solutions and crystals. Molecular functional groups that participate in the formation of H-bonds of the O–H⋯O=C, N–H⋯O=C, O–H⋯O=S=O, and N–H⋯O=S=O types were identified. The aminophenol antiviral activity correlated with the ability to form the H-bonds. A correspondence between the proton-acceptor properties of the hydroxyl oxygen in the aminophenols and their antiviral activity was revealed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::035b9ac0864fcd77aa071e0877ce325b https://doi.org/10.1007/s10812-012-9658-3 Zobrazit plný text záznamu Plný text ve formátu PDF