Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation

Enli Niu; Qiang Gan; Xi Chen; Changgen Feng

doi:10.1063/1.4971949

Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation

Enli Niu
, Qiang Gan
, Xi Chen
, Changgen Feng^*

^*此作品的通讯作者

机电学院

Beijing Institute of Technology

科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审

5 引用（Scopus）

摘要

PTP 1B plays an important role in regulating insulin signaling pathway and is regarded as a valid target for curing diabetes and obesity. In this paper, two novel sulfonamide-containing PTP 1B inhibitors were designed, synthesized in mild condition, and characterized by FT-IR, 1H NMR, 13C NMR and elemental analysis. The single crystal of compounds 7 and 8 were obtained and their structures were determined by X-ray single crystal diffraction analysis. In addition, their inhibitory activity were predicted by genetic algorithm, and carried on in vitro enzyme activity test. Of which compound 8 showed good inhibitory activity, in consistent with docking studies.

源语言	英语
主期刊名	2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016
编辑	Jianfeng Ke, Zhihui Tan, Zhibin You
出版商	American Institute of Physics Inc.
ISBN（电子版）	9780735414600
DOI	https://doi.org/10.1063/1.4971949
出版状态	已出版 - 6 1月 2017
活动	2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016 - Xi'an City, Shaanxi Province, 中国期限: 10 12月 2016 → 11 12月 2016

丛书

姓名	AIP Conference Proceedings
卷	1794
ISSN（印刷版）	0094-243X
ISSN（电子版）	1551-7616

会议

会议	2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016
国家/地区	中国
市	Xi'an City, Shaanxi Province
时期	10/12/16 → 11/12/16

联合国可持续发展目标

此成果有助于实现下列可持续发展目标：

可持续发展目标 3 良好健康与福祉

访问文件

10.1063/1.4971949

其它文件与链接

链接到 Scopus 的出版物

引用此

Niu, E., Gan, Q., Chen, X., & Feng, C. (2017). Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation. 在 J. Ke, Z. Tan, & Z. You (版本), 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016 期刊论文 050003 (AIP Conference Proceedings; 卷 1794). American Institute of Physics Inc.. https://doi.org/10.1063/1.4971949

@inproceedings{b066b443b5a243ffada6956010f18141,

title = "Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation",

abstract = "PTP 1B plays an important role in regulating insulin signaling pathway and is regarded as a valid target for curing diabetes and obesity. In this paper, two novel sulfonamide-containing PTP 1B inhibitors were designed, synthesized in mild condition, and characterized by FT-IR, 1H NMR, 13C NMR and elemental analysis. The single crystal of compounds 7 and 8 were obtained and their structures were determined by X-ray single crystal diffraction analysis. In addition, their inhibitory activity were predicted by genetic algorithm, and carried on in vitro enzyme activity test. Of which compound 8 showed good inhibitory activity, in consistent with docking studies.",

keywords = "Inhibitory Activity, PTP 1B, Sulfonamide-Based Inhibitors",

author = "Enli Niu and Qiang Gan and Xi Chen and Changgen Feng",

note = "Publisher Copyright: {\textcopyright} 2017 Author(s).; 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016 ; Conference date: 10-12-2016 Through 11-12-2016",

year = "2017",

month = jan,

day = "6",

doi = "10.1063/1.4971949",

language = "English",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics Inc.",

editor = "Jianfeng Ke and Zhihui Tan and Zhibin You",

booktitle = "2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016",

address = "United States",

}

Niu, E, Gan, Q, Chen, X & Feng, C 2017, Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation. 在 J Ke, Z Tan & Z You (版本), 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016., 050003, AIP Conference Proceedings, 卷 1794, American Institute of Physics Inc., 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016, Xi'an City, Shaanxi Province, 中国, 10/12/16. https://doi.org/10.1063/1.4971949

Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation. / Niu, Enli; Gan, Qiang; Chen, Xi 等.
2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016. 编辑 / Jianfeng Ke; Zhihui Tan; Zhibin You. American Institute of Physics Inc., 2017. 050003 (AIP Conference Proceedings; 卷 1794).

科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审

TY - GEN

T1 - Sulfonamide-containing PTP 1B inhibitors

T2 - 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016

AU - Niu, Enli

AU - Gan, Qiang

AU - Chen, Xi

AU - Feng, Changgen

PY - 2017/1/6

Y1 - 2017/1/6

N2 - PTP 1B plays an important role in regulating insulin signaling pathway and is regarded as a valid target for curing diabetes and obesity. In this paper, two novel sulfonamide-containing PTP 1B inhibitors were designed, synthesized in mild condition, and characterized by FT-IR, 1H NMR, 13C NMR and elemental analysis. The single crystal of compounds 7 and 8 were obtained and their structures were determined by X-ray single crystal diffraction analysis. In addition, their inhibitory activity were predicted by genetic algorithm, and carried on in vitro enzyme activity test. Of which compound 8 showed good inhibitory activity, in consistent with docking studies.

AB - PTP 1B plays an important role in regulating insulin signaling pathway and is regarded as a valid target for curing diabetes and obesity. In this paper, two novel sulfonamide-containing PTP 1B inhibitors were designed, synthesized in mild condition, and characterized by FT-IR, 1H NMR, 13C NMR and elemental analysis. The single crystal of compounds 7 and 8 were obtained and their structures were determined by X-ray single crystal diffraction analysis. In addition, their inhibitory activity were predicted by genetic algorithm, and carried on in vitro enzyme activity test. Of which compound 8 showed good inhibitory activity, in consistent with docking studies.

KW - Inhibitory Activity

KW - PTP 1B

KW - Sulfonamide-Based Inhibitors

UR - https://www.scopus.com/pages/publications/85020028802

U2 - 10.1063/1.4971949

DO - 10.1063/1.4971949

M3 - Conference contribution

AN - SCOPUS:85020028802

T3 - AIP Conference Proceedings

BT - 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016

A2 - Ke, Jianfeng

A2 - Tan, Zhihui

A2 - You, Zhibin

PB - American Institute of Physics Inc.

Y2 - 10 December 2016 through 11 December 2016

ER -

Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation

摘要

丛书

会议

联合国可持续发展目标

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