Quantitative structure-activity relationships of some HIV-protease inhibitors

A quantitative structure-activity relationship (QSAR) study has been made on different series of cycloalkylpyranones acting as human-immunodeficiency-virus type 1 (HIV-1) protease inhibitors. The results suggest that the enzyme binding affinity of the compounds would be favoured by a cyclooctyl ring, a 3-cyclopropylphenylmethyl substituent at the pyranone ring, and a 4-CN-2-pyridine-, an N-Me-imidazole-, or a 3- or 4-CN-phenyl-sulfonamide group at the meta position of the phenyl ring of the 3-substituent.