Abstract
Computer-assisted screening for Kohonen self-organizing maps in terms of the quantitative structure—activity relationship (QSAR) model revealed the high potential activity of cinnamoyl derivatives of coumarin and dehydroacetic acid and their boron difluoride complexes against a number of biological targets, including HIV-1 integrase. The pronounced inhibitory properties of dehydroacetic acid derivatives and their boron difluoride complexes against HIV-1 integrase were experimentally confirmed by in vitro testing of their antiviral activity with respect to HIV-infected cells. The data obtained suggests a correlation between the structure of the compounds studied and their biological activity.
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Dedicated to Academician of the Russian Academy of Sciences O. M. Nefedov on the occasion of his 80th birthday.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 76–88, January, 2012.
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Tambov, K.V., Voevodina, I.V., Manaev, A.V. et al. Structures and biological activity of cinnamoyl derivatives of coumarins and dehydroacetic acid and their boron difluoride complexes. Russ Chem Bull 61, 78–90 (2012). https://doi.org/10.1007/s11172-012-0012-y
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DOI: https://doi.org/10.1007/s11172-012-0012-y