Prof. Weiwei Xue's group made a significant breakthrough in the MOA elucidation of antidepressant vilazodone

In March 2020, Weiwei Xue's group published a research paper entitled “The binding mode of vilazodone in the human serotonin transporter elucidated by ligand docking and molecular dynamics simulations” in the core journal Physical Chemistry Chemical Physics.

Major Depressive Disorder (MDD) is a serious mental health disorder. Vilazodone, a novel drug for the treatment of major depressive disorder. By computational analysis, Vilazodone, owns a linear binding pose in the pocket of the protein, which is unlike the binding mode of other classical antidepressants. The results obtained in this study not only contribute to the understanding of the novel binding mode with hSERT to Vilazodone, but also provide valuable guidance for the discovery of new antidepressants.

The research was supported by the National Key R&D Project, National Natural Science Foundation of China, and the Central University Basic Research Special Fund.

View Article online：https://pubs.rsc.org/en/content/articlelanding/2020/CP/C9CP05764A#!divAbstract

DOI: 10.1039/c9cp05764a