BiochemistrybioRxiv
Mechanism-Based and Computational Modeling of Hydrogen Sulfide Biogenesis Inhibition - Interfacial Inhibition
This study investigates how D-penicillamine inhibits cystathionine γ-lyase (CSE) through mixed inhibition, using docking and molecular dynamics simulations to identify interfacial binding sites and mechanisms.
DOI 10.1038/s41598-023-34405-3