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VIRTUAL SCREENING IN A SEARCH FOR THE BIOLOGICAL ACTIVITY OF NOVEL DERIVATIVES OF ARYLBENZAMIDINES

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DOI: https://doi.org/None
Issue: 
8
Year: 
2015

E.V. Kuvaeva, PhD; E.V. Fedorova, PhD; Professor I.P. Yakovlev, PhD; E.N. Kirillova, PhD; T.L. Semakova, PhD Saint Petersburg Chemopharmaceutical Academy; 14, Prof. Popov St., Saint Petersburg 197376

PASS and FlexX docking computer programs were used to isolate N’-(4-nitrophenyl)benzamidine, a low toxic and highly effective bezamidine derivative with broad-spectrum biological activity, from a number of synthetized amidines. The anticoagulant, antibacterial, anti-inflammatory, and analgesic activities predicted by the programs were confirmed by animal experiments.
Keywords: 
N-arylbenzamidines. PASS program
FlexX docking
acute toxicity
biological activity
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