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Mohsen Oftadeh,Nosrat Madadi Mahani 한국약제학회 2013 Journal of Pharmaceutical Investigation Vol.43 No.4
Theoretical investigation of the interaction between thiadiazolylthioacetamide derivatives (TTAs) and linear-dendrimer have been performed by the ONIOM2(B3LYP/6-31G: UFF) method. The results showed that there are weak interactions containing hydrogen bonds and Vander Waals interactions, and clearly indicated that these complexes have relatively low stability; therefore, the PCA–PEG–PCA copolymer is a suitable drug delivery molecule for anti-HIV drugs. The interaction energies and NBO analysis of the anti-HIV drugs (TTAs derivatives)-polymer–tyrosine system indicated these nanocarriers can be utilised to improve the biological and anti-HIV activity of TTAs.