Tag: drug discovery

A new review details how cryo-electron microscopy, AI modeling and time-resolved crystallography are decoding the multi-target synergy of traditional Chinese ...

Researchers fused machine learning, molecular docking and molecular dynamics simulations into a virtual screening pipeline that discovered HY-18,623, a nanomolar ...

Chemists have used an eco-friendly bismuth catalyst to synthesize pyridopyrimidine compounds in high yields, with laboratory tests and extensive computer ...

The University of Kansas has received a $5.8 million NIH Phase 3 COBRE award to sustain its Chemical Biology of ...

Researchers used an explainable machine learning model built from 216 diverse VEGFR-2 inhibitors to discover a novel naphthalene-substituted phthalazine compound ...

A new disubstituted thymoquinone derivative designated TQ13 inhibited TLR2 and TLR4 signaling and protected kidney function in diabetic rats, offering ...

Scientists at Caltech and the University of Pittsburgh have engineered haemproteins to convert simple unactivated alkenes directly into chiral oxazolidinone ...

Chemists have transformed the shelved European antibacterial clofoctol into a broad-spectrum, membrane-targeting peptidomimetic that kills resistant bacteria rapidly and cleared ...

Researchers have scaled human fat cell differentiation assays down to 24- and 48-well formats, cutting the cost of screening anti-obesity ...

A new network pharmacology study identifies 14 tea phytochemicals that strongly bind the cancer- and metabolism-linked hub proteins PIK3CA, AKT1, ...