Journal
JOURNAL OF PHARMACOLOGICAL SCIENCES
Volume 148, Issue 3, Pages 295-299Publisher
JAPANESE PHARMACOLOGICAL SOC
DOI: 10.1016/j.jphs.2022.01.004
Keywords
Serotonin transporter; Machine learning; Virtual screening; Major depressive disorder
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Funding
- JSPS [JP20H04774, JP20K07064]
- SENSHIN Medical Research Foundation
- Shimizu Foundation for Immunology and Neuroscience Grant
- Uehara Memorial Foundation
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SERT, as a serotonin transporter, plays a crucial role in neurotransmission and is considered a key mediator and drug target in various diseases. Recent advancements in structural biology and machine learning have greatly contributed to the understanding of SERT's structure and the design of drugs.
Serotonin transporter (SERT) is a membrane transporter which terminates neurotransmission of serotonin through its reuptake. This transporter as well as its substrate have long drawn attention as a key mediator and drug target in a variety of diseases including mental disorders. Accordingly, its structural basis has been studied by X-ray crystallography to gain insights into a design of ligand with high affinity and high specificity over closely related transporters. Recent progress in structural biology including single particle cryo-EM have made big strides also in determination of the structures of human SERT in complex with its ligands. Moreover, rapid progress in machine learning such as deep learning accelerates computer-assisted drug design. Here, we would like to summarize recent progresses in our understanding of SERT using these two rapidly growing technologies, limitations, and future perspectives. (c) 2022 The Authors. Production and hosting by Elsevier B.V. on behalf of Japanese Pharmacological Society. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/ licenses/by-nc-nd/4.0/).
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