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Antipicornavirus Compounds: Use of Rational Drug Design and Molecular Modelling

The discovery of antipicornavirus activity associated with disoxaril 1 and related compounds, and the elucidation of the 3-dimensional structure of human rhinovirus-14 and −1A has lead to the use of rational drug design in the search for more potent and broad spectrum agents. The use of volume maps based on the X-ray conformation of these compounds in human rhinovirus-14 has revealed space filling requirements for activity for this serotype which has been confirmed by the use of the programme CoMFA. The principle interactions of the compounds within the binding site appear hydrophobic in nature. These studies have shown that maximum occupancy of the binding site is associated with good antiviral activity.