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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Christina Tysoe, Stephen G Withers1
1Department of Chemistry, University of British Columbia, 2036, Main Mall, Vancouver, British Columbia, V6T 1Z1, Canada. withers@chem.ubc.ca.
Fluorine substitution enhances mechanism-based inhibitors, leading to effective pharmaceuticals. These compounds are activated by target enzymes for covalent inactivation, with notable examples in cancer and African sleeping sickness treatments.
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