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Updated: May 31, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Drug effectiveness explained: the mathematics of antiviral agents for HIV
Alan S Perelson1, Steven G Deeks
1Los Alamos National Laboratory, Los Alamos, NM 87501, USA. asp@lanl.gov
Abstract:
Antiretroviral therapy has improved the quality and length of life of millions of individuals affected by human immunodeficiency virus type 1 (HIV-1). The capacity of these drugs to indefinitely suppress HIV-which has a well-known capacity for escaping antiviral pressures-is surprising. In this issue of Science Translational Medicine, Shen et al. use a combination of mathematical modeling and experiment to examine the potency of anti-HIV drugs. They show that non-nucleoside reverse transcriptase inhibitors and protease inhibitors exhibit cooperative dose-response curves-a finding that has implications for the treatment of HIV as well as other viral infections, such as hepatitis C.
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