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. 2021 Jan 12;11:525. doi: 10.1038/s41598-020-80113-7

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© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Experimental validation of the prediction model for the serotonin transporter (SERT). (a) Structure of CHEMBL1377753 (1). (b) 1 inhibited the substrate uptake of SERT. The specific uptake of the fluorescent substrate for SERT was measured in the absence or presence of ligands in cells expressing human SERT. The specific uptake was normalized to the value in the absence of ligands. The data represent the mean ± s.e.m. n = 4 biological replicates in two independent experiments. (c,d) Administration of 1 induced antidepressant-like effects in mice. After intraperitoneal injection of 1 (1, 10 mg/kg), the immobility duration in the tail suspension test (c) or travelled distance in the open field test (d) was measured. (c) 1 significantly decreased the immobility duration. The data represent the mean ± s.e.m. One-way ANOVA was performed; F(2,19) = 3.64, P = 0.046. Dunnett’s multiple comparisons test *P < 0.05 vs. the saline group. n = 7–8 mice per group. (d) 1 did not significantly affect the travelled distance. The data represent the mean ± s.e.m. One-way ANOVA; F(2,15) = 0.41, P = 0.67. n = 6 mice per group.