(Q44711412)

5 December 2017

title

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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5 December 2017

Shek Ling Chan

series ordinal

2

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5 December 2017

Kal Ramnarayan

series ordinal

3

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5 December 2017

publication date

1 August 2003

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Journal of Computer - Aided Molecular Design

5 December 2017

published in

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5 December 2017

volume

17

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5 December 2017

issue

8

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5 December 2017

page(s)

495-513

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Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues

5 December 2017

cites work

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12 December 2020

Alterations in skeletal muscle protein-tyrosine phosphatase activity and expression in insulin-resistant human obesity and diabetes

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12 December 2020

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12 December 2020

Structural basis of plasticity in protein tyrosine phosphatase 1B substrate recognition

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12 December 2020

Novel phosphate mimetics for the design of non-peptidyl inhibitors of protein tyrosine phosphatases

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12 December 2020

Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design.

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Cloning of a cDNA for a major human protein-tyrosine-phosphatase

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12 December 2020

CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site

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12 December 2020

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

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12 December 2020

Receptor-based 3D QSAR analysis of estrogen receptor ligands--merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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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12 December 2020

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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12 December 2020

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

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12 December 2020

Combinatorial control of the specificity of protein tyrosine phosphatases

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12 December 2020

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

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12 December 2020

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

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12 December 2020

Protein-tyrosine phosphatase 1B is a negative regulator of insulin- and insulin-like growth factor-I-stimulated signaling

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12 December 2020

Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies

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12 December 2020

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

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12 December 2020

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

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12 December 2020

Potent non-peptidyl inhibitors of protein tyrosine phosphatase 1B

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12 December 2020

Visualization of intermediate and transition-state structures in protein-tyrosine phosphatase catalysis

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12 December 2020

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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12 December 2020

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

Increased insulin sensitivity and obesity resistance in mice lacking the protein tyrosine phosphatase-1B gene

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12 December 2020

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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12 December 2020

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

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12 December 2020

Skeletal muscle protein tyrosine phosphatase activity and tyrosine phosphatase 1B protein content are associated with insulin action and resistance

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12 December 2020

New azolidinediones as inhibitors of protein tyrosine phosphatase 1B with antihyperglycemic properties

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12 December 2020

PTP1B inhibition and antihyperglycemic activity in the ob/ob mouse model of novel 11-arylbenzo[b]naphtho[2,3-d]furans and 11-arylbenzo[b]naphtho[2,3-d]thiophenes

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12 December 2020

Improved sensitivity to insulin in obese subjects following weight loss is accompanied by reduced protein-tyrosine phosphatases in adipose tissue

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12 December 2020

Protein-tyrosine phosphatase 1B complexes with the insulin receptor in vivo and is tyrosine-phosphorylated in the presence of insulin

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

1 reference

12 December 2020

10.1023/B:JCAM.0000004602.70594.5F

Identifiers

DOI

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5 December 2017

DBLP publication ID

journals/jcamd/WangCR03

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1005292003

0 references

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