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.
Gupta
S P
SP
Birla Institute of Technology and Science, Rajasthan, India.
Babu
M S
MS
Kaw
N
N
D000473:Alkanes / Q000737:chemistry*; D016333:HIV Protease / Q000187:drug effects*; D017320:HIV Protease Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D015497:HIV-1 / Q000201:enzymology*; D011753:Pyrones / Q000737:chemistry*; D013329:Structure-Activity Relationship
D000473:Alkanes; D017320:HIV Protease Inhibitors; D011753:Pyrones; D016333:HIV Protease