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A Novel Inhibitor of STAT3 Homodimerization Selectively Suppresses STAT3 Activity and Malignant Transformation

Cancer research (Chicago, Ill.), 2013-03, Vol.73 (6), p.1922-1933

2013

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

Proceedings of the National Academy of Sciences - PNAS, 2007-05, Vol.104 (18), p.7391-7396

2007

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Discovery of a Novel Shp2 Protein Tyrosine Phosphatase Inhibitor

Molecular pharmacology, 2006-08, Vol.70 (2), p.562-570

2006

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Organic copper complexes as a new class of proteasome inhibitors and apoptosis inducers in human cancer cells

Biochemical pharmacology, 2004-03, Vol.67 (6), p.1139-1151

2004

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Accurate Prediction of Acidity Constants in Aqueous Solution via Density Functional Theory and Self-Consistent Reaction Field Methods

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-02, Vol.106 (7), p.1327-1335

2002

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Fragment-Based and Structure-Guided Discovery and Optimization of Rho Kinase Inhibitors

Journal of medicinal chemistry, 2012-03, Vol.55 (5), p.2474-2478

2012

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Low Mode Search. An Efficient, Automated Computational Method for Conformational Analysis: Application to Cyclic and Acyclic Alkanes and Cyclic Peptides

Journal of the American Chemical Society, 1996-05, Vol.118 (21), p.5011-5019

1996

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Inhibitors of Src Homology-2 Domain Containing Protein Tyrosine Phosphatase-2 (Shp2) Based on Oxindole Scaffolds

Journal of medicinal chemistry, 2008-08, Vol.51 (16), p.4948-4956

2008

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Inhibition of cellular Shp2 activity by a methyl ester analog of SPI-112

Biochemical pharmacology, 2010-09, Vol.80 (6), p.801-810

2010

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Shp2 protein tyrosine phosphatase inhibitor activity of estramustine phosphate and its triterpenoid analogs

Bioorganic & medicinal chemistry letters, 2011-01, Vol.21 (2), p.730-733

2011

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Docking studies and model development of tea polyphenol proteasome inhibitors: Applications to rational drug design

Proteins, structure, function, and bioinformatics, 2004-01, Vol.54 (1), p.58-70

2004

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A computational design approach for virtual screening of peptide interactions across K(+) channel families

Computational and structural biotechnology journal, 2015-01, Vol.13 (C), p.85-94

2015

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Discovery of a novel proteasome inhibitor selective for cancer cells over non-transformed cells

Cell cycle (Georgetown, Tex.), 2009-06, Vol.8 (12), p.1940-1951

2009

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Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2)

MedChemComm, 2012-06, Vol.3 (6), p.699-709

2012

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Correction: A small-molecule competitive inhibitor of phosphatidic acid binding by the AAA+ protein NSF/Sec18 blocks the SNARE-priming stage of vacuole fusion

The Journal of biological chemistry, 2022-11, Vol.298 (11), p.102576-102576, Article 102576

2022

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An Allosteric Binding Site on Sortilin Regulates the Trafficking of VLDL, PCSK9, and LDLR in Hepatocytes

Biochemistry (Easton), 2020-11, Vol.59 (45), p.4321-4335

2020

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Identification of a New Binding Site in E. coli FabH using Molecular Dynamics Simulations: Validation by Computational Alanine Mutagenesis and Docking Studies

Journal of chemical information and modeling, 2013-05, Vol.53 (5), p.1138-1156

2013

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An internal-coordinate Monte Carlo method for searching conformational space

Journal of the American Chemical Society, 1989-06, Vol.111 (12), p.4379-4386

1989

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A small-molecule competitive inhibitor of phosphatidic acid binding by the AAA+ protein NSF/Sec18 blocks the SNARE-priming stage of vacuole fusion

The Journal of biological chemistry, 2019-11, Vol.294 (46), p.17168-17185

2019

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Molecular Dynamics Simulations of Membrane-Bound STIM1 to Investigate Conformational Changes during STIM1 Activation upon Calcium Release

Journal of chemical information and modeling, 2017-02, Vol.57 (2), p.335-344

2017

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β-Strand mimics based on tetrahydropyridazinedione (tpd) peptide stitching

Chemical communications (Cambridge, England), 2015-11, Vol.51 (90), p.16259-16262

2015

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Oxadiazole-isopropylamides as Potent and Noncovalent Proteasome Inhibitors

Journal of medicinal chemistry, 2013-05, Vol.56 (10), p.3783-3805

2013

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Orally Bioavailable 6‑Chloro-7-methoxy-4(1H)‑quinolones Efficacious against Multiple Stages of Plasmodium

Journal of medicinal chemistry, 2014-11, Vol.57 (21), p.8860-8879

2014

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Sortilin facilitates VLDL-B100 secretion by insulin sensitive McArdle RH7777 cells

Biochemical and biophysical research communications, 2016-09, Vol.478 (2), p.546-552

2016

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Discovery and Synthesis of Hydronaphthoquinones as Novel Proteasome Inhibitors

Journal of medicinal chemistry, 2012-03, Vol.55 (5), p.1978-1998

2012

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A Novel Inhibitor of STAT3 Homodimerization Selectively Suppresses STAT3 Activity and Malignant Transformation

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

Discovery of a Novel Shp2 Protein Tyrosine Phosphatase Inhibitor

Organic copper complexes as a new class of proteasome inhibitors and apoptosis inducers in human cancer cells

Accurate Prediction of Acidity Constants in Aqueous Solution via Density Functional Theory and Self-Consistent Reaction Field Methods

Fragment-Based and Structure-Guided Discovery and Optimization of Rho Kinase Inhibitors

Low Mode Search. An Efficient, Automated Computational Method for Conformational Analysis: Application to Cyclic and Acyclic Alkanes and Cyclic Peptides

Inhibitors of Src Homology-2 Domain Containing Protein Tyrosine Phosphatase-2 (Shp2) Based on Oxindole Scaffolds

Inhibition of cellular Shp2 activity by a methyl ester analog of SPI-112

Shp2 protein tyrosine phosphatase inhibitor activity of estramustine phosphate and its triterpenoid analogs

Docking studies and model development of tea polyphenol proteasome inhibitors: Applications to rational drug design

A computational design approach for virtual screening of peptide interactions across K(+) channel families

Discovery of a novel proteasome inhibitor selective for cancer cells over non-transformed cells

Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2)

Correction: A small-molecule competitive inhibitor of phosphatidic acid binding by the AAA+ protein NSF/Sec18 blocks the SNARE-priming stage of vacuole fusion

An Allosteric Binding Site on Sortilin Regulates the Trafficking of VLDL, PCSK9, and LDLR in Hepatocytes

Identification of a New Binding Site in E. coli FabH using Molecular Dynamics Simulations: Validation by Computational Alanine Mutagenesis and Docking Studies

An internal-coordinate Monte Carlo method for searching conformational space

A small-molecule competitive inhibitor of phosphatidic acid binding by the AAA+ protein NSF/Sec18 blocks the SNARE-priming stage of vacuole fusion

Molecular Dynamics Simulations of Membrane-Bound STIM1 to Investigate Conformational Changes during STIM1 Activation upon Calcium Release

β-Strand mimics based on tetrahydropyridazinedione (tpd) peptide stitching

Oxadiazole-isopropylamides as Potent and Noncovalent Proteasome Inhibitors

Orally Bioavailable 6‑Chloro-7-methoxy-4(1H)‑quinolones Efficacious against Multiple Stages of Plasmodium

Sortilin facilitates VLDL-B100 secretion by insulin sensitive McArdle RH7777 cells

Discovery and Synthesis of Hydronaphthoquinones as Novel Proteasome Inhibitors

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