Inhibition of Leishmania infantum Trypanothione Reductase by New Aminopropanone Derivatives Interacting with the NADPH Binding Site.

Valentina Noemi Madia,Davide Ialongo,Elisa Patacchini,Cécile Exertier,Lorenzo Antonelli,Gianni Colotti,Antonella Messore,Valeria Tudino,Francesco Saccoliti,Luigi Scipione,Andrea Ilari,Roberta Costi,Roberto Di Santo

Molecules (Basel, Switzerland)（2023）

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摘要

Compounds and were the most potent inhibitors found, suggesting that an additional aromatic ring might be promising for enzymatic inhibition. Further structure-activity relationships are needed to optimize our compounds activity.

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关键词

Leishmania infantum,NADPH binding site,X-ray crystal structure,cluster docking,procainamide derivatives,procaine derivatives,trypanothione reductase inhibition

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