Characterization of molecular recognition of STAT3 SH2 domain inhibitors through molecular simulation. (Q53436083)

14 May 2018

title

Characterization of molecular recognition of STAT3 SH2 domain inhibitors through molecular simulation. (English)

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author name string

In-Hee Park

series ordinal

1

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Chenglong Li

series ordinal

2

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publication date

1 March 2011

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Journal of Molecular Recognition

published in

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volume

24

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issue

2

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page(s)

254-265

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Targeting signal-transducer-and-activator-of-transcription-3 for prevention and therapy of cancer: modern target but ancient solution

cites work

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Identification of the linker-SH2 domain of STAT as the origin of the SH2 domain using two-dimensional structural alignment

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Discovery of the catechol structural moiety as a Stat3 SH2 domain inhibitor by virtual screening

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21 January 2018

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Exploring protein native states and large-scale conformational changes with a modified generalized born model

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CH/pi hydrogen bonds determine the selectivity of the Src homology 2 domain to tyrosine phosphotyrosyl peptides: an ab initio fragment molecular orbital study

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Crystal structure of unphosphorylated STAT3 core fragment

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Stattic: a small-molecule inhibitor of STAT3 activation and dimerization

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Cryptotanshinone inhibits constitutive signal transducer and activator of transcription 3 function through blocking the dimerization in DU145 prostate cancer cells

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Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity

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A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells

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Phosphotyrosyl peptides block Stat3-mediated DNA binding activity, gene regulation, and cell transformation

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Comparative Binding Energy (COMBINE) Analysis of OppA−Peptide Complexes to Relate Structure to Binding Thermodynamics

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21 January 2018

Identifiers

DOI

10.1002/JMR.1047

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14 May 2018

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14 May 2018