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Updated: Aug 11, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
HIV-1 reverse transcriptase: a therapeutical target in the spotlight
H C Castro1, N I V Loureiro, M Pujol-Luz
1Laboratório de Bioquímica e Modelagem Molecular (LaBioMol), Departamento de Biologia Celular e Molecular, IB, Universidade Federal Fluminense (UFF), Outeiro Sao Joao Batista, Niterói, RJ, 24001-970, Brazil. hcastrorangel@yahoo.com.br
Abstract:
Human Immunodeficiency Virus type 1 Reverse Transcriptase (HIV-1 RT) is one of the most important targets for treatment of Acquired Immune Deficiency Syndrome (AIDS). It catalyzes the reverse transcription of HIV-RNA into a double stranded DNA, and the knowledge of its substrate specificity and catalytic mechanism has guided the development of several inhibitors widely used on current HIV/AIDS therapy. However, mutations in HIV-1 RT structure can lead to the emergence of drug-resistant virus strains. The goal of this review is to summarize relevant structural features of HIV-1 RT and its inhibitors in such a way that this cost-effective target in the development of new antiretroviral drugs is particularly highlighted.
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