Structure-based prediction of free energy changes of binding of PTP1B inhibitors (Q44711412)

5 December 2017

Structure-based prediction of free energy changes of binding of PTP1B inhibitors (English)

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5 December 2017

Jing Wang

1

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PubMed ID

14703121

5 December 2017

Shek Ling Chan

series ordinal

2

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PubMed ID

14703121

5 December 2017

Kal Ramnarayan

series ordinal

3

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5 December 2017

1 August 2003

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Journal of Computer - Aided Molecular Design

5 December 2017

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5 December 2017

17

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5 December 2017

8

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5 December 2017

495-513

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https://scigraph.springernature.com/pub.10.1023/b:jcam.0000004602.70594.5f

5 December 2017

0 references

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Structure-based design and synthesis of small molecule protein-tyrosine phosphatase 1B inhibitors

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Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis

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Structure based prediction of binding affinity of human immunodeficiency virus-1 protease inhibitors

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Small molecule interactions with protein-tyrosine phosphatase PTP1B and their use in inhibitor design

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Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.

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Osmotic loading of neutralizing antibodies demonstrates a role for protein-tyrosine phosphatase 1B in negative regulation of the insulin action pathway

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Calculation of relative binding free energies and configurational entropies: a structural and thermodynamic analysis of the nature of non-polar binding of thrombin inhibitors based on hirudin55-65.

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Binding affinity prediction of novel estrogen receptor ligands using receptor-based 3-D QSAR methods

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Combinatorial control of the specificity of protein tyrosine phosphatases

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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

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Molecular basis for the dephosphorylation of the activation segment of the insulin receptor by protein tyrosine phosphatase 1B

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Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors

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Molecular modeling of protein tyrosine phosphatase 1B (PTP 1B) inhibitors

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Potent non-peptidyl inhibitors of protein tyrosine phosphatase 1B

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3D-quantitative structure-activity relationships of human immunodeficiency virus type-1 proteinase inhibitors: comparative molecular field analysis of 2-heterosubstituted statine derivatives-implications for the design of novel inhibitors

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Naphthalenebis[alpha,alpha-difluoromethylenephosphonates] as potent inhibitors of protein tyrosine phosphatases

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12 December 2020

Protein-tyrosine phosphatases: structure, mechanism, and inhibitor discovery

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12 December 2020

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2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases

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12 December 2020

Structural basis for inhibition of the protein tyrosine phosphatase 1B by phosphotyrosine peptide mimetics

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Protein-tyrosine phosphatases PTP1B and syp are modulators of insulin-stimulated translocation of GLUT4 in transfected rat adipose cells

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Molecular modeling and 3D-QSAR studies on the interaction mechanism of tripeptidyl thrombin inhibitors with human alpha-thrombin

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A peptide-based protein-tyrosine phosphatase inhibitor specifically enhances insulin receptor function in intact cells

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A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

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Thermodynamic study of ligand binding to protein-tyrosine phosphatase 1B and its substrate-trapping mutants.

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12 December 2020

The structure of PTP-1B in complex with a peptide inhibitor reveals an alternative binding mode for bisphosphonates

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12 December 2020

Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B

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12 December 2020

10.1023/B:JCAM.0000004602.70594.5F

Identifiers

DOI

1 reference

5 December 2017

journals/jcamd/WangCR03

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

PubMed ID

14703121