The binding mode of vilazodone in the human serotonin transporter elucidated by ligand docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

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

Published:2020 Issue:9 Volume:22 Page:5132-5144
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Yang¹²³⁴⁵,Zheng Guoxun¹²³⁴,Fu Tingting¹²³⁴,Hong Jiajun⁵⁶⁷⁴,Li Fengcheng⁵⁶⁷⁴,Yao Xiaojun⁸⁹¹⁰⁴,Xue Weiwei¹²³⁴^ORCID,Zhu Feng¹²³⁴⁵^ORCID

Affiliation:

1. School of Pharmaceutical Sciences

2. Chongqing University

3. Chongqing 401331

4. China

5. College of Pharmaceutical Sciences

6. Zhejiang University

7. Hangzhou 310058

8. State Key Laboratory of Applied Organic Chemistry and Department of Chemistry

9. Lanzhou University

10. Lanzhou 730000

Abstract

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.

Funder

National Basic Research Program of China

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP05764A

Reference84 articles.

1. New Hope for Patients with Major Depressive Disorder?

2. The selective orexin-2 antagonist seltorexant (JNJ-42847922/MIN-202) shows antidepressant and sleep-promoting effects in patients with major depressive disorder

3. The molecular neurobiology of depression

4. Major depressive disorder: new clinical, neurobiological, and treatment perspectives

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