Quantitative Structure-Property Relationship for Predicting the Activity of Inhibitor of Influenza Virus Neuraminidase

摘要

The quantitative structure-property relationship was used for estimating the activity of influenza virus neuraminidase inhibitors,cyclohexene and cyclopentane derivatives.Application of two models,topological and geometric,showed that in both cases the estimated activity is well consistent with the experimental data,but the geometric model is necessary when dealing with stereoisomers.The structural elements of the inhibitor '"responsible" for the high activity were revealed.