Revealing vilazodone's binding mechanism underlying its partial agonism to the 5-HT1A receptor in the treatment of major depressive disorder

2017 ◽  
Vol 19 (42) ◽  
pp. 28885-28896 ◽  
Author(s):  
Guoxun Zheng ◽  
Weiwei Xue ◽  
Fengyuan Yang ◽  
Yang Zhang ◽  
Yuzong Chen ◽  
...  
Keyword(s):  
Major Depressive Disorder ◽  
Depressive Disorder ◽  
Computational Methods ◽  
Binding Mode ◽  
Binding Mechanism ◽  
Major Depressive ◽  
Partial Agonism

The binding mechanism of vilazodone to 5-HT1A receptor was revealed via integrated computational methods. The identified binding mode will provide valuable information for medicinal chemists in designing and discovering novel SPARIs for MDD treatment.

Computational identification of the binding mechanism of a triple reuptake inhibitor amitifadine for the treatment of major depressive disorder

2018 ◽  
Vol 20 (9) ◽  
pp. 6606-6616 ◽  
Author(s):  
Weiwei Xue ◽  
Panpan Wang ◽  
Gao Tu ◽  
Fengyuan Yang ◽  
Guoxun Zheng ◽  
...  
Keyword(s):  
Major Depressive Disorder ◽  
Depressive Disorder ◽  
Reuptake Inhibitor ◽  
Binding Mode ◽  
Binding Mechanism ◽  
Major Depressive ◽  
Computational Identification ◽  
Key Residues

A shared binding mode involving eleven key residues at the S1 site of MATs for the binding of amitifadine is identified.

The binding mode of vilazodone in the human serotonin transporter elucidated by ligand docking and molecular dynamics simulations

2020 ◽  
Vol 22 (9) ◽  
pp. 5132-5144 ◽  
Author(s):  
Yang Zhang ◽  
Guoxun Zheng ◽  
Tingting Fu ◽  
Jiajun Hong ◽  
Fengcheng Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Major Depressive Disorder ◽  
Depressive Disorder ◽  
Serotonin Transporter ◽  
Binding Mode ◽  
Ligand Docking ◽  
Action Mechanism ◽  
Major Depressive ◽  
Serotonin Reuptake Transporter ◽  
Dynamics Simulations

Vilazodone is a novel antidepressant for the treatment of major depressive disorder with the action mechanism of inhibiting the human serotonin reuptake transporter (hSERT), not only occupying the S1 binding site, but also extending to the S2 site.

scholarly journals Major Depressive Disorder (MDD) and Schizophrenia– Addressing Unmet Needs With Partial Agonists at the D2 Receptor: A Review

2019 ◽  
Vol 22 (10) ◽  
pp. 651-664
Author(s):  
Jasmina Mallet ◽  
Philip Gorwood ◽  
Yann Le Strat ◽  
Caroline Dubertret
Keyword(s):  
Major Depressive Disorder ◽  
Depressive Disorder ◽  
Unmet Needs ◽  
Dopamine D2 Receptor ◽  
D2 Receptor ◽  
Adjunctive Treatment ◽  
Major Depressive ◽  
Partial Agonism ◽  
Partial Agonists ◽  
Second Generation Antipsychotics

Abstract Second-generation antipsychotics are common candidates for the adjunctive treatment of major depressive disorder and for the treatment of schizophrenia. However, unmet needs remain in the treatment of both disorders. Considering schizophrenia, antipsychotics are the most common treatment and have demonstrated good efficacy. Still, side effects of these treatments are commonly reported and may impact adherence to the medication and functioning in patients with schizophrenia. Regarding major depressive disorder, despite the availability of several classes of antidepressants, many patients do not achieve remission. Adjunctive treatment with antipsychotics may improve clinical and functional outcomes. Compared with dopamine D2 receptor antagonism that is exhibited by most antipsychotics, partial agonism may result in improved outcomes in major depressive disorder and in schizophrenia. Aripiprazole, cariprazine, and brexpiprazole have partial agonism at the dopamine D2 receptor and could potentially overcome limitations associated with D2 antagonism. The objectives of this review were (1) to discuss the goal of treatment with second-generation antipsychotics in major depressive disorder and schizophrenia, and the clinical factors that should be considered, and (2) to examine the short- and long-term existing data on the efficacy and safety of D2 receptor partial agonists (aripiprazole, cariprazine, and brexpiprazole) in the adjunctive treatment of major depressive disorder and in the treatment of schizophrenia.

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