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Discovery of new STAT3 inhibitors as anticancer agents using ligand-receptor contact fingerprints and docking-augmented machine learning

https://doi.org/10.1039/d2ra07007c
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine
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Stattic: A Small-Molecule Inhibitor of STAT3 Activation and Dimerization
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inferredcites →https://doi.org/10.1016/j.ctrv.2015.04.008openalex-snapshot
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Machine-learning approaches in drug discovery: methods and applications
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Observation of unphosphorylated STAT3 core protein binding to target ds DNA by PEMSA and X‐ray crystallography
inferredcites →https://doi.org/10.1016/j.jbc.2021.101531openalex-snapshot
The antimicrobial drug pyrimethamine inhibits STAT3 transcriptional activity by targeting the enzyme dihydrofolate reductase
inferredcites →https://doi.org/10.1016/j.jmgm.2004.11.007openalex-snapshot
LigScore: a novel scoring function for predicting binding affinities
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Revisiting the development of small molecular inhibitors that directly target the signal transducer and activator of transcription 3 (STAT3) domains
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Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Consensus scoring for ligand/protein interactions
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inferredcites →https://doi.org/10.1021/ci6004299openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm058047oopenalex-snapshot
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inferredcites →https://doi.org/10.1038/28101openalex-snapshot
Three-dimensional structure of the Stat3β homodimer bound to DNA
inferredcites →https://doi.org/10.1038/d41573-019-00197-3openalex-snapshot
Dumping STAT3 in the trash
inferredcites →https://doi.org/10.1038/leu.2014.298openalex-snapshot
Immunosuppressive therapy of LGL leukemia: prospective multicenter phase II study by the Eastern Cooperative Oncology Group (E5998)
inferredcites →https://doi.org/10.1038/s41467-020-17920-zopenalex-snapshot
Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains
inferredcites →https://doi.org/10.1038/s41573-019-0024-5openalex-snapshot
Applications of machine learning in drug discovery and development
inferredcites →https://doi.org/10.1074/jbc.ra120.016645openalex-snapshot
The STAT3 inhibitor Stattic acts independently of STAT3 to decrease histone acetylation and modulate gene expression
inferredcites →https://doi.org/10.1080/07391102.2009.10507315openalex-snapshot
Weighted Equation and Rules—A Novel Concept for Evaluating Protein-Ligand Interaction
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The ChEMBL database in 2017
inferredcites →https://doi.org/10.1097/00001622-199911000-00010openalex-snapshot
STAT proteins as novel targets for cancer therapy
inferredcites →https://doi.org/10.1111/j.1742-4658.2010.07965.xopenalex-snapshot
Bcl‐2 and Bcl‐xL play important roles in the crosstalk between autophagy and apoptosis
inferredcites →https://doi.org/10.1124/mi.11.1.4openalex-snapshot
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inferredcites →https://doi.org/10.1128/mcb.00060-15openalex-snapshot
Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcriptional Activity
inferredcites →https://doi.org/10.1152/ajprenal.00603.2019openalex-snapshot
Pharmacokinetics and pharmacodynamics of TTI-101, a STAT3 inhibitor that blocks muscle proteolysis in rats with chronic kidney disease
inferredcites →https://doi.org/10.11613/bm.2012.031openalex-snapshot
Interrater reliability: the kappa statistic
inferredcites →https://doi.org/10.1182/blood.v124.21.3602.3602openalex-snapshot
Targeting of MDS and AML Stem Cells Via Inhibition of STAT3 By Pyrimethamine
inferredcites →https://doi.org/10.1186/1476-4598-9-217openalex-snapshot
A novel small molecule inhibits STAT3 phosphorylation and DNA binding activity and exhibits potent growth suppressive activity in human cancer cells
inferredcites →https://doi.org/10.15388/21-infor457openalex-snapshot
Study of Multi-Class Classification Algorithms’ Performance on Highly Imbalanced Network Intrusion Datasets
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A Novel Biological Activity of the STAT3 Inhibitor Stattic in Inhibiting Glutathione Reductase and Suppressing the Tumorigenicity of Human Cervical Cancer Cells via a ROS-Dependent Pathway
inferredcites →https://doi.org/10.2174/1568026619666190620145052openalex-snapshot
STAT3: A Potential Drug Target for Tumor and Inflammation
inferredcites →https://doi.org/10.2174/1573409916666200611122736openalex-snapshot
Elaboration of Novel TTK1 Inhibitory Leads via QSAR-Guided Selection of Crystallographic Pharmacophores Followed By In Vitro Assay
inferredcites →https://doi.org/10.3390/ijms20184331openalex-snapshot
Molecular Docking: Shifting Paradigms in Drug Discovery
inferredcites →https://doi.org/10.4155/fmc.11.22openalex-snapshot
Signal Transducer and Activator of Transcription 3 (STAT3): A Promising Target for Anticancer Therapy

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