The effect of the structure of derivatives of nitrogen-containing heterocycles on their anti-influenza activity

Autor:	Anatoliy G. Artemenko, Victor E. Kuz’min, Anatolii F. Lutsyuk, Aleksandr A. Gruzevskii, A. Fedchuk, L. Shitikova, Tatyana L. Gridina, Liudmila N. Ognichenko, Stephan S. Basok
Rok vydání:	2019
Předmět:	Quantitative structure–activity relationship chemistry.chemical_compound Virtual screening chemistry 010405 organic chemistry Human influenza Organic Chemistry Isoindoline Piperidine 010402 general chemistry 01 natural sciences Combinatorial chemistry 0104 chemical sciences
Zdroj:	Chemistry of Heterocyclic Compounds. 55:455-462
ISSN:	1573-8353 0009-3122
DOI:	10.1007/s10593-019-02479-5
Popis:	An adequate QSAR model based on the simplex representation of the molecular structure was built in order to optimize the search for new anti-influenza agents. Structural interpretation of the model allowed us to identify molecular fragments that determine the activity of compounds against human influenza viruses. Further virtual screening and targeted synthesis allowed us to select a group of potentially effective compounds, three of which, derivatives of piperidine and isoindoline, turned out to be the most promising.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2d80152c31b35dc8b20a4862dbc2c6de https://doi.org/10.1007/s10593-019-02479-5 Zobrazit plný text záznamu Full text from SpringerLink