LIGNANS AND TANNINS AS INHIBITORS OF VIRAL REVERSE-TRANSCRIPTASE AND HUMAN DNA POLYMERASE-ALPHA - QSAR ANALYSIS AND MOLECULAR MODELING

The inhibitory activities against HIV-1 RT and hDNAP-alpha of 15 ligna ns and tannins isolated from Chinese herbs have been correlated with p hysicochemical parameters (mu, log MW, Hb, I). From the overall shapes of 3-D structures, a T-shaped perpendicular ring system gives the bes t differential inhibition against HIV-1 RT, while a more complicated p i-shaped ring system is associated with high inhibition against both H IV-1 RT and hDNAP-alpha. These findings indicate that there are differ ent structural requirements for the inhibition of each of the target e nzyme.