Quantitative Structure-Activity Relationship Studies on Some Anti-Human-Immunodeficiency-Virus-1 (Anti-Hiv-1) Drugs: Viral Reverse Transcriptase Inhibitors

Abstract

The anti-HIV-1 activity of some 3-[(benzoxazol-2-ylmethyl)amino]-, 3-[(benzoxazol-2-yl)ethyl]-, 3-[N-(phthalimidomethyl)amino]-and 3-[N-(phthalimido)ethyl]-5-ethyl-6-methyl pyridin-2(1H)-one derivatives, that have been found to elicit their action through the allosteric inhibition of the enzyme viral reverse transcriptase (VRT), have been analysed in relation to the physicochemical properties of the molecules. Significant correlations were obtained between the activity and the hydrophobic and electronic constants of substituents and van der Waals' volume of the linker chain. Based on these findings the mechanism of action of these drugs is discussed.

Key Words: :

• Quantitative structure-activity relationship
• HIV-1 reverse transcriptase inhibitors
• 2-pyridinone derivatives