Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and Trypanosoma cruzi Cruzain

Journal of Medicinal Chemistry
2019.0

Abstract

Gallinamide A, originally isolated with a modest antimalarial activity, was subsequently reisolated and characterized as a potent, selective, and irreversible inhibitor of the human cysteine protease cathepsin L. Molecular docking identified potential modifications to improve binding, which were synthesized as a suite of analogs. Resultingly, this current study produced the most potent gallinamide analog yet tested against cathepsin L (<b>10</b>, <i>K</i><sub>i</sub> = 0.0937 ± 0.01 nM and <i>k</i><sub>inact</sub>/<i>K</i><sub>i</sub> = 8 730 000). From a protein structure and substrate preference perspective, cruzain, an essential <i>Trypanosoma cruzi</i> cysteine protease, is highly homologous. Our investigations revealed that gallinamide and its analogs potently inhibit cruzain and are exquisitely toxic toward <i>T. cruzi</i> in the intracellular amastigote stage. The most active compound, <b>5</b>, had an IC<sub>50</sub> = 5.1 ± 1.4 nM, but was relatively inactive to both the epimastigote (insect stage) and the host cell, and thus represents a new candidate for the treatment of Chagas disease.

Knowledge Graph

Similar Paper

Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and Trypanosoma cruzi Cruzain
Journal of Medicinal Chemistry 2019.0
Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi
Journal of Medicinal Chemistry 2022.0
The Marine Cyanobacterial Metabolite Gallinamide A Is a Potent and Selective Inhibitor of Human Cathepsin L
Journal of Natural Products 2014.0
Structure-Based Optimization of Quinazolines as Cruzain and TbrCATL Inhibitors
Journal of Medicinal Chemistry 2021.0
Synthesis, Biological Evaluation, and Structure–Activity Relationships of Potent Noncovalent and Nonpeptidic Cruzain Inhibitors as Anti-Trypanosoma cruzi Agents
Journal of Medicinal Chemistry 2014.0
Synthesis and biological evaluation of potential inhibitors of the cysteine proteases cruzain and rhodesain designed by molecular simplification
Bioorganic &amp; Medicinal Chemistry 2017.0
Design, synthesis and cruzain docking of 3-(4-substituted-aryl)-1,2,4-oxadiazole-N-acylhydrazones as anti-Trypanosoma cruzi agents
Bioorganic &amp; Medicinal Chemistry 2009.0
Synthesis of Gallinamide A Analogues as Potent Falcipain Inhibitors and Antimalarials
Journal of Medicinal Chemistry 2014.0
Selenosemicarbazones as potent cruzipain inhibitors and their antiparasitic properties against Trypanosoma cruzi
MedChemComm 2012.0
Synthesis and Structure−Activity Relationship Study of Potent Trypanocidal Thio Semicarbazone Inhibitors of the Trypanosomal Cysteine Protease Cruzain
Journal of Medicinal Chemistry 2002.0