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The cross-resistance of D-3'-F-C-d4G to M184V mutant may be caused by the realignment of the primer and template in the HIV- RTM184V, which destabilizes the RT-triphosphate complex (Supported by NIH AI 25899 and Veterans Affairs). MEDI 74 Stereoselective, de novo synthetic route to a combinatorial library of peptide-linked nucleosides Kevin W. C. edu In recent times, structurally modified nucleoside building blocks and oligonucleotides thereof have gained much attention by virtue of their significant biological profiles, including their use in antisense, antiviral, and anticancer therapies.

It has been recently reported that (-)-epigallocatechin gallate (EGCG) from green tea is an inhibitor blocking gp120-CD4 binding. But the inhibitory mechanism remains unknown. For understanding the inhibitory mechanism, extensive molecular docking, molecular dynamics simulations, and binding free energy calculations have been performed in this study to predict the most favorable structures of CD4-EGCG, gp120-CD4, and gp120CD4-EGCG binding complexes in water. The results reveal that EGCG binds with CD4 in such a way that the calculated binding affinity of gp120 with the CD4-EGCG complex is negligible.

Et al. Mol. Cancer Ther. 2004, 3, 1375). More recently, SAR studies of the 4-aryl-4H-chromenes revealed that disubstitution at the 7,8-positions were preferred over 5,6 or 6,7-positions (Kemnitzer, W. et al. Bioorg. Med. Chem. Lett. 2005, 15, 4745). Additional SAR studies involving a fused ring at the 7, 8-positions resulted in potent analogs. Herein we will report in detail the chemistry, in vitro and in vivo characterization of compounds with a N-substituted pyrrole fused ring at the 7, 8positions.

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Abstracts-233rd ACS National Meeting by ACS

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