Discovery of Novel Inhibitors of <i>Aspergillus fumigatus</i> DHODH via Virtual Screening, MD Simulation, and In Vitro Activity Assay

Discovery of Novel Inhibitors of <i>Aspergillus fumigatus</i> DHODH via Virtual Screening, MD Simulation, and In Vitro Activity Assay

To address the surge in <i>Aspergillus fumigatus</i> infections among immunosuppressed patients and azole resistance, this study focused on developing novel inhibitors targeting dihydroorotate dehydrogenase (AfDHODH), a key enzyme in fungal pyrimidine synthesis. The three-dimensional str...

Full description

Saved in:
Bibliographic Details
Main Authors: Kaige Li, Wei Xia, John Z. H. Zhang
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Molecules
Subjects:
AfDHODH
small molecule inhibitors
virtual screening
computer-aided drug design
binding free energy
Online Access:https://www.mdpi.com/1420-3049/30/12/2607
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

https://www.mdpi.com/1420-3049/30/12/2607

Similar Items