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View article: The Arch from the Stones: Understanding Protein Folding Energy Landscapes via Bioinspired Collective Variables
The Arch from the Stones: Understanding Protein Folding Energy Landscapes via Bioinspired Collective Variables Open
Protein folding remains a formidable challenge despite significant advances, particularly in sequence-to-structure prediction. Accurately capturing thermodynamics and intermediates via simulations demands overcoming time scale limitations,…
View article: Discovery of the First Efficacious Adenosine 2A Receptor Negative Allosteric Modulators for High Adenosine Cancer Immunotherapies
Discovery of the First Efficacious Adenosine 2A Receptor Negative Allosteric Modulators for High Adenosine Cancer Immunotherapies Open
Inhibition of the adenosine 2A receptor (A2AR) is recognized as a promising immunotherapeutic strategy but is challenged by the ubiquity of A2AR function in the immune system. To develop a safe yet efficacious immunotherapy, the discovery …
View article: Discovery of the first-efficacious A<sub>2A</sub>R negative allosteric modulators for high adenosine cancer immunotherapies
Discovery of the first-efficacious A<sub>2A</sub>R negative allosteric modulators for high adenosine cancer immunotherapies Open
Inhibition of adenosine 2A receptor (A2AR) is recognized as a promising immunotherapeutic strategy but is challenged by the ubiquity of A2AR function in the immune system. To develop a safe yet efficacious immunotherapy, the discovery of a…
View article: 146P A novel allosteric oral immunotherapy small molecule modulates adenosine 2a receptor signaling and restores anti-tumor immune responses
146P A novel allosteric oral immunotherapy small molecule modulates adenosine 2a receptor signaling and restores anti-tumor immune responses Open
Improving survival of cancer patients could be achieved by enhancing anti-tumor immunity which is frequently suppressed. Adenosine, found at high concentrations in most solid tumors, is reported to be a key mediator of immune suppression. …
View article: Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1
Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1 Open
Raw experimental data for the manuscript entitled 'Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1'. This includes the data underlying all figures, DESeq2 files, modeling and MD …
View article: Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1
Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1 Open
Raw experimental data for the manuscript entitled 'Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1'. This includes the data underlying all figures, DESeq2 files, modeling and MD …
View article: Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1
Targeted protein degradation reveals BET bromodomains as the cellular target of Hedgehog Pathway Inhibitor-1 Open
Target deconvolution of small molecule hits from phenotypic screens presents a major challenge. Illustrative of these are the many screens that have been conducted to find inhibitors for the Hedgehog (Hh) signaling pathway – a major develo…
View article: Chemoenzymatic Synthesis of Original Stilbene Dimers Possessing Wnt Inhibition Activity in Triple-Negative Breast Cancer Cells Using the Enzymatic Secretome of Botrytis cinerea Pers.
Chemoenzymatic Synthesis of Original Stilbene Dimers Possessing Wnt Inhibition Activity in Triple-Negative Breast Cancer Cells Using the Enzymatic Secretome of Botrytis cinerea Pers. Open
The Wnt signaling pathway controls multiple events during embryonic development of multicellular animals and is carcinogenic when aberrantly activated in adults. Breast cancer and triple-negative breast cancer (TNBC) in particular depend u…
View article: Novel Mechanism for an Old Drug: Phenazopyridine is a Kinase Inhibitor Affecting Autophagy and Cellular Differentiation
Novel Mechanism for an Old Drug: Phenazopyridine is a Kinase Inhibitor Affecting Autophagy and Cellular Differentiation Open
Phenazopyridine is a widely used drug against urinary tract pain. The compound has also been shown to enhance neural differentiation of pluripotent stem cells. However, its mechanism of action is not understood. Based on its chemical struc…