Computational insight into the selective allosteric inhibition for PTP1B versus TCPTP: a molecular modelling study-Reference-Cited by-同舟云学术

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Computational insight into the selective allosteric inhibition for PTP1B versus TCPTP: a molecular modelling study

Published:2020-07-08 Issue:15 Volume:39 Page:5399-5410
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Javier Garcia-Marin¹²³^ORCID

Affiliation:

1. Facultad de Farmacia, Departamento de Química Orgánica y Química Inorgánica, Universidad de Alcalá, Alcalá de Henares, Spain

2. Instituto Ramón y Cajal de Investigación Sanitaria (IRYCIS), Madrid, Spain

3. Facultad de Farmacia, Instituto de Investigación Química Andrés M. del Río, Universidad de Alcalá, Alcalá de Henares, Spain

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1790421

Reference48 articles.

1. Allosteric Modulators: An Emerging Concept in Drug Discovery

2. Neuronal PTP1B regulates body weight, adiposity and leptin action

3. Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling

4. The Amber biomolecular simulation programs

5. Type 2 diabetes

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. 3-Benzylaminomethyl Lithocholic Acid Derivatives Exhibited Potent and Selective Uncompetitive Inhibitory Activity Against Protein Tyrosine Phosphatase 1B (PTP1B);ACS Omega;2024-07-21

2. Biophysical Rationale for the Selective Inhibition of PTP1B over TCPTP by Nonpolar Terpenoids;The Journal of Physical Chemistry B;2023-09-20

3. Allosteric Inhibition of PTP1B by a Nonpolar Terpenoid;The Journal of Physical Chemistry B;2022-10-12

4. Enzyme active sites: Identification and prediction of function using computational chemistry;Current Opinion in Structural Biology;2022-06

5. Characterization and biological activity of new 4-oxo-1,4-dihydrocinnoline-based inhibitors of the tyrosine phosphatase PTP1B and TCPTP;Biomeditsinskaya Khimiya;2022

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