Targeting PRMT9-mediated arginine methylation suppresses cancer stem cell maintenance and elicits CGAS-mediated anticancer immunity

Chemistry, Medicinal Chemistry, Medicine, Rheumatology and Immunology, Oncology, Life Sciences, Cell Biology, Immunology,
PRMT9   cancer stem cells   CGAS   methylation   immune response  

This study revolves around the protein arginine methyltransferase PRMT9, revealing its important role in acute myeloid leukemia (AML) and its potential as an anticancer target. Researchers found that PRMT9 expression levels were significantly elevated in AML stem cells and leukemic cells. Through gene editing and chemical probes, they discovered th...

Geometry-enhanced pretraining on interatomic potentials

Chemistry, Computational Chemistry, Information Science, Computer Science, Artificial Intelligence,
machine learning   molecular dynamics   graph neural networks   self-supervised learning   interatomic potentials  

Geometric Enhanced Pretraining for Interatomic Potentials Introduction Molecular dynamics (MD) simulations play an important role in fields such as physics, chemistry, biology, and materials science, providing insights into atomic-level processes. The accuracy and efficiency of MD simulations depend on the choice of interatomic potential functions ...

Equivariant 3D Conditional Diffusion Model for Molecular Linker Design

Equivariant 3D Conditional Diffusion Model for Molecular Linker Design

Chemistry, Medicinal Chemistry, Computational Chemistry, Information Science, Artificial Intelligence, Medicine, Pharmacy,
molecular linker design   drug design   generative model  

From early drug discovery researchers face a daunting challenge – to find drug-like candidate molecules among approximately 10^60 possible molecular structures. One successful solution is to start from smaller “fragment” molecules, a strategy known as fragment-based drug design (FBDD). In the FBDD process, the first step is to computationally scree...

Tandem mass spectrum prediction for small molecules using graph transformers

Chemistry, Analytical Chemistry, Computational Chemistry, Information Science, Artificial Intelligence,
Mass spectrometry   Graph transformer   Small molecules   Fragmentation patterns   Prediction  

This is a paper about MassFormer, a graph transformer model for small molecule mass spectrometry prediction. This research addresses the problem of molecular identification in mass spectrometry data and proposes a novel deep learning approach to predict mass spectra of small molecules. Background: Mass spectrometry (MS) is an analytical technique w...

Targeted Activation of Ferroptosis in Colorectal Cancer via LGR4 Targeting Overcomes Acquired Drug Resistance

Chemistry, Medicinal Chemistry, Medicine, Oncology, Life Sciences, Cell Biology, Biochemistry,
Colorectal Cancer   Ferroptosis   Acquired Drug Resistance   LGR4 Targeting   WNT Signaling Pathway  

Overcoming Acquired Resistance in Colorectal Cancer by Targeting LGR4 Research Background: Acquired drug resistance is a major obstacle in cancer treatment and a leading cause of cancer-related deaths. However, the mechanisms of resistance are diverse, and how to specifically target resistant cancer cells remains a significant clinical challenge. A...

Assessing the contribution of the chemical exposome to neurodegenerative disease

Assessing the contribution of the chemical exposome to neurodegenerative disease

Chemistry, Analytical Chemistry, Environmental Chemistry, Medicine, Neurology, Life Sciences, Biochemistry, Immunology,
neurodegenerative diseases   exposome   chemicals   Alzheimer's disease   Parkinson's disease  

Assessing the Risks of Chemical Exposures for Neurodegenerative Diseases Introduction In recent years, many environmental chemicals, from solvents to pesticides, have been implicated in the development and progression of neurodegenerative diseases. However, a systematic approach akin to genome-wide association studies, which have identified dozens ...