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Updated: Sep 29, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Recent Advances in Structural Studies of Cytochrome bd and Its Potential Application as a Drug Target
Thorsten Friedrich1, Daniel Wohlwend1, Vitaliy B Borisov2
1Institut für Biochemie, Albert-Ludwigs-Universität Freiburg, D-79104 Freiburg, Germany.
Abstract:
Cytochrome bd is a triheme copper-free terminal oxidase in membrane respiratory chains of prokaryotes. This unique molecular machine couples electron transfer from quinol to O2 with the generation of a proton motive force without proton pumping. Apart from energy conservation, the bd enzyme plays an additional key role in the microbial cell, being involved in the response to different environmental stressors. Cytochrome bd promotes virulence in a number of pathogenic species that makes it a suitable molecular drug target candidate. This review focuses on recent advances in understanding the structure of cytochrome bd and the development of its selective inhibitors.
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