Cells are crowded, dynamic places where thousands of molecules interact in tight quarters. Until now, scientists lacked a ...

Tires may do more than wear down on the road—a chemical they release could be quietly raising your risk of Alzheimer's.

A recent study suggests that a common chemical byproduct created by the breakdown of automobile tires might interfere with ...

A chemical called 6PPD-quinone (6PPD-Q), which forms when shaved-off tire particles come into contact with ozone, might ...

Summary: Researchers deployed an advanced, data-driven framework combining integrative network pharmacology, transcriptomics, machine learning, and molecular docking simulations. Their computational ...

Scientists have finally uncovered how bacteria naturally create multiple versions of powerful anti-cancer drugs, solving a mystery that has frustrated researchers for decades.

UHPLC-MS/MS enabled phenolic fingerprinting of ten Algerian honeys, revealing 22 compounds with quinic acid, gallic acid, naringenin, and acacetin most abundant. Botanical origin and geography drove ...

Lenacapavir disrupts HIV-1 capsid elasticity, inducing mechanical rupture at the nuclear pore, highlighting that altering viral material properties can be a viable antiviral drug design strategy.

Capturing the conformational diversity of protein–small molecule interactions is crucial for gaining insights into natural and designed systems. We have developed a graph neural network, PLACER ...

Molecular docking is a core technique in structure-based drug design (SBDD), used to predict the binding pose of small molecules to protein targets. It remains one of the most accessible and widely ...

Protein serine/threonine kinases (STKs) regulate critical signaling pathways involved in cell growth, proliferation, metabolism, and apoptosis. Aberrant kinase activity is implicated in diverse human ...