Quantitative structure-activity relationship studies on some anti-human-immunodeficiency-virus-1 (anti-HIV-1) drugs: viral reverse transcriptase inhibitors.
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.
Garg
R
R
Department of Chemistry, Birla Institute of Technology & Science, Pilani, India.
Gupta
S P
SP
D019380:Anti-HIV Agents / Q000737:chemistry / Q000494:pharmacology*; D054303:HIV Reverse Transcriptase / Q000037:antagonists & inhibitors*; D015497:HIV-1 / Q000187:drug effects*; D015394:Molecular Structure; D011728:Pyridones / Q000737:chemistry / Q000494:pharmacology*; D012044:Regression Analysis; D018894:Reverse Transcriptase Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
D019380:Anti-HIV Agents; D011728:Pyridones; D018894:Reverse Transcriptase Inhibitors; D054303:HIV Reverse Transcriptase