A series of adamantane derivatives (rimantadine and amantadine) incorporating
amino-acid residues are investigated by simplex representation of molecular
structure (SiRMS) approach in order to found correlation between chemical
structures of investigated compounds and obtained data for antiviral
activity and cytotoxicity. The obtained data from QSAR analysis show that
adamantane derivatives containing amino acids with short aliphatic non-polar
residues in the lateral chain will have good antiviral activity against
tested virus A/H3N2, strain Hong Kong/68 with low cytotoxicity. QSAR
experiments and in vitro data show also good correlation and reveal that
modified adamantine derivatives including guanidated in the lateral chain
amino acid and ?-amino acids as substituents have lower or do not show any
activity.
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