Molecular Modeling of Steroid–Nucleoside Conjugates: A Preliminary Structural Study

Interplay of Thermochemistry and Structural Chemistry, the Journal (Volume 14, 2003) and the Discipline

“…The following paper is by Edwards et al and is a preliminary study of the structure of steroids conjugated with AZT, with the goal of predicting steroid structure and behavior in various situations to improve on anti-HIV treatments [82]. What are the esterification/bonding energies for each of the three acids (cholenic acid, prednisolone-16-, and -21-caboxylic acids) with AZT?…”