Next-Generation CRBN Modulators Show Promise Against IMiD Resistance in PROTAC Therapy
A new computational study suggests that next-generation CRBN E3 ligase modulators, particularly CC-885, may hold the key to overcoming mutation-driven ...
Tag: molecular docking
Aspartame Linked to Memory Loss, Anxiety, and Insulin Resistance in Rats
An integrated study combining network toxicology, molecular docking, and animal experiments links chronic aspartame exposure to memory impairment, anxiety-like behavior, ...
How Five Minutes of Stir-Frying Transforms the Chemistry, Aroma, and Color of Sichuan Pepper
A new study maps how stir-frying synchronously reshapes the volatile chemistry, numbing compounds, color values, and antioxidant activity of Sichuan ...
Two Hidden Enzymes May Be Draining the Fuel Behind Erythritol Production in Industrial Yeast
Transcriptomics, molecular docking and metabolic modelling identify YALI0_F02013g and YALI0_A19910g as NADPH-dependent oxidoreductases that compete with erythritol synthesis in Yarrowia ...
Oxadiazole compound shows potent selectivity against oligodendroglioma cells
Researchers have synthesized a series of 1,3,4-oxadiazole derivatives and evaluated their anticancer potential against HS683 human oligodendroglioma cells, identifying one ...
Anethole from Star Anise and Fennel Shows Promise Against Alzheimer-Like Memory Loss in Rats
A common food-grade aromatic compound from star anise and fennel improved spatial working memory, recognition memory, and anxiety-like behavior in ...
Old drugs, new weapons: repurposing therapies against antimicrobial resistance
A comprehensive review maps how approved drugs—from anticancer agents to antidepressants—can be systematically repurposed to combat drug-resistant superbugs.
Host Gene Study Reveals Monkeypox Mechanisms and Points to Repurposed Drugs
A new computational study maps the host genes dysregulated in MPOX and identifies five repurposable drug candidates supported by docking ...
Subtle Shape Shifts, Not Misfolding: How FUS Mutations Drive ALS
A computational study shows that ALS-linked FUS mutations cause disease through subtle, site-specific changes in protein flexibility and molecular recognition ...
From Plant Chemistry to Steel Protection: Syringic Acid Derivatives Show Dual Promise as Drug Leads and Corrosion Inhibitors
University of Ibadan researchers computationally evaluated three O-allylated syringic acid derivatives for corrosion inhibition on iron surfaces and biological activity ...
New Indole-Fused Molecules Show Potent Antibacterial Power Against Resistant Superbugs
A newly synthesized family of indole-fused oxazepine compounds shows potent, broad-spectrum antibacterial activity and favorable predicted safety, with one derivative ...
Ancient Chinese Formula Shields the Brain by Rewiring Gut Microbes and Metabolism
A multi-omics study shows that the classical Chinese formula Xijiao Dihuang Decoction protects rats against stroke reperfusion injury by remodeling ...
Worm Drug and Plant Alkaloid Emerge as Top Computational Candidates Against Resistant H. pylori
A new comparative docking study ranks the anthelmintic niclosamide and the plant alkaloid berberine against three key Helicobacter pylori enzymes, ...
PFOS Exposure May Trigger Early Atherosclerosis, Zebrafish Study Reveals
A new study has revealed that exposure to perfluorooctane sulfonate, better known as PFOS, may trigger the earliest phenotypic alterations ...
MMP1 Emerges as a Shared Molecular Link Between Gout and Severe COVID-19
A combined bioinformatics and molecular simulation study identifies MMP1 as a shared hub gene and colchicine target linking gout and ...
Fungus from medicinal cactus reveals chemical arsenal against rival molds
Deep inside the stem of a spiny medicinal cactus, a microscopic fungus has been waging chemical warfare on its rivals ...
AI Drug Discovery Gets a Virology Check: Why Respiratory Virus Polymerases Break the Benchmarks
A new review argues that AI-driven antiviral discovery must be benchmarked against respiratory RNA virus polymerases under virologically realistic conditions ...
Shared Molecular Signatures Link Deadly Lung Disease to Aggressive Cancer
Idiopathic pulmonary arterial hypertension (IPAH) has long puzzled physicians... The methodological architecture of the study deserves closer examination, because the ...
Mild Silicon Catalyst Turns Classic Reaction Into Assembly Line for New Alzheimer’s Drug Candidates
Chemists have used a mild silicon catalyst to rapidly build dihydropyrimidinethione compounds that inhibit the cholinesterase enzymes implicated in Alzheimer's ...
Forever Chemical PFOS Linked to Gum Disease by Genetic and Multiomics Evidence
An integrated study combining global burden data, Mendelian randomization, multiomics, structural simulation, and cell experiments links PFOS exposure to increased ...
