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Computer Assisted Molecular Modeling Of Thymidine Nucleoside Analog Inhibitors Of Hiv-1 Reverse Transcriptase, Mark A. Fisher

Theses

An active analog approach to receptor mapping was used to identify the three dimensional structural characteristics associated with a series of thymidine nucleoside analog inhibitors of HIV-1 reverse transcriptase (RT) that may be essential for their activity. Atomic substitutions at the 5 and 3' positions of nucleoside analogs confer global structural and electrostatic changes that result in either increased or diminished inhibitory activity. From a structural perspective, the activity differences can be attributed to the presentation of select atoms in three dimensional motifs that are common to all active compounds and absent or distorted in inactive/poorly active compounds.

The identification …