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^*

^*Corresponding author for this work

School of Mechatronical Engineering

Beijing Institute of Technology

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

5 Citations (Scopus)

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.

Original language	English
Title of host publication	2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016
Editors	Jianfeng Ke, Zhihui Tan, Zhibin You
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735414600
DOIs	https://doi.org/10.1063/1.4971949
Publication status	Published - 6 Jan 2017
Event	2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016 - Xi'an City, Shaanxi Province, China Duration: 10 Dec 2016 → 11 Dec 2016

Publication series

Name	AIP Conference Proceedings
Volume	1794
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016
Country/Territory	China
City	Xi'an City, Shaanxi Province
Period	10/12/16 → 11/12/16

Keywords

Inhibitory Activity
PTP 1B
Sulfonamide-Based Inhibitors

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1063/1.4971949

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

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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",

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day = "6",

doi = "10.1063/1.4971949",

language = "English",

series = "AIP Conference Proceedings",

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

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Niu, E, Gan, Q, Chen, X & Feng, C 2017, Sulfonamide-containing PTP 1B inhibitors: Docking studies, synthesis and model validation. in J Ke, Z Tan & Z You (eds), 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016., 050003, AIP Conference Proceedings, vol. 1794, American Institute of Physics Inc., 2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016, Xi'an City, Shaanxi Province, China, 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 et al.
2016 International Conference on Materials Science, Resource and Environmental Engineering, MSREE 2016. ed. / Jianfeng Ke; Zhihui Tan; Zhibin You. American Institute of Physics Inc., 2017. 050003 (AIP Conference Proceedings; Vol. 1794).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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T1 - Sulfonamide-containing PTP 1B inhibitors

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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

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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

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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

Abstract

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Conference

Keywords

UN SDGs

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