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Updated: Aug 9, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Synthesis and RT inhibitory activity evaluation of new pyrimidine-based seco-nucleosides
Genaro Vargas1, Iker S Escalona, Magali Salas
1Departamento de Química, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, México, DF México.
Abstract:
Eleven new 3',4'-seco acyclic nucleosides (4-14) were prepared by nucleophilic substitution of protected pyrimidine bases on ethyl 3,3-diethoxypropanoate (3). Structures were characterized spectroscopically and a brief analysis of their conformation in solution was performed by the vicinal coupling constants (3)JH2'aH3' and (3)JH2'bH3'. In solid state, compound 6 forms a homodimer linked by hydrogen bonding. In preliminary tests all compounds show low toxicity and gentle activity against HIV-1 RT in vitro.
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