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Updated: Jan 22, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Structure-Activity Relationships of Anabaenopeptins as Carboxypeptidase and Phosphatase Inhibitors
Megan L Quandt1, Judy Westrick1, Jeremy J Kodanko1
1Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, United States.
Abstract:
Anabaenopeptins are a family of cyanobacterial cyclic peptides that display potent enzyme inhibition, particularly against carboxypeptidases A and B, as well as the serine/threonine phosphatases PP1 and PP2A. Defined by a 19-membered macrocyclic ring and a ureido-linked exocyclic amino acid, these compounds vary considerably in their amino acid composition, influencing both potency and selectivity. This review compiles published IC50 values for natural and synthetic anabaenopeptins, organizing them by enzyme target, and highlighting recurring structural motifs that drive inhibitory activity. Through this comparative analysis, we identify emerging trends in structure-activity relationships and underscore gaps in assay standardization and structural validation. These insights provide a critical foundation for advancing the biological evaluation of anabaenopeptins as environmental contaminants, mechanistic probes, and candidate scaffolds for therapeutic development.
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