Review Details Brain Organoid Progress in Disease Modeling and Key Challenges
A scientific review details advancements in stem cell-derived brain organoids for disease modeling and drug screening alongside critical challenges in ...
Tag: drug discovery
Earthworm Gut Bacteria Yield Potent Antibacterial Compound
Researchers identified benastatin B from earthworm gut bacteria, showing potent bactericidal activity against vancomycin-resistant Enterococcus faecalis.
New AI Model Predicts Molecular Toxicity Using 3D Geometry
A new AI framework called MolMMP improves molecular toxicity prediction by integrating SMILES sequences, graph topology, and 3D geometric data.
Soursop fruit compounds show computational promise against Alzheimer’s protein
A computational study of Annona muricata fruit phytochemicals identifies spathulenol, caryophyllene oxide and bornyl acetate as the strongest predicted binders ...
Rodent Toxicity Archives Reveal Candidate Longevity Agents
Researchers repurposed regulatory rodent toxicity archives to identify 27 chemical compounds associated with increased survival, highlighting mitochondrial stress responses as ...
AI, automation and novel assays accelerate the hunt for new medicines
Volume 43 of SLAS Discovery presents AI-guided screening, automated platforms and new cell-based assays that accelerate drug discovery across infectious ...
Catalyst Aggregation State Flips Chirality in Anti-Inflammatory Phosphine Synthesis
Adding pyridine to a Zn-ProPhenol-catalyzed hydrophosphineization of chromones reverses product chirality by shifting the catalyst between dimer and monomer forms, ...
Apiaceae Plant Endophytes Yield Diverse Bioactive Molecules for Drug Discovery
A comprehensive literature review reveals that fungal endophytes residing within medicinal Apiaceae plants produce structurally diverse secondary metabolites with significant ...
Structure-Aware Deep Learning Framework Accurately Predicts Peptide Toxicity
Researchers have developed GraphPepTox, a geometric deep learning framework that models spatial residue relationships to improve peptide toxicity prediction.
Computational Study Analyzes Plant Compounds Against SARS-CoV-2 Main Protease Target
A structure-based molecular docking study evaluated nine phytochemicals from Siddha-associated medicinal plants against the SARS-CoV-2 main protease, identifying distinct polar ...
Machines Join the Hunt for New Schistosomiasis Drugs
A new review argues that machine learning can speed the search for schistosomiasis drugs only if paired with standardized, high-throughput ...
AI drug discovery tools dominated early-stage pharma research after COVID-19, review finds
A systematic review of 57 studies finds that AI-enabled Pharma 4.0 tools after COVID-19 concentrated on early-stage drug discovery metrics, ...
Computational screen flags five natural compounds that bind a tuberculosis virulence enzyme
A computational study identified five natural compounds with strong predicted binding to the Rv1509-encoded DNA methyltransferase of Mycobacterium tuberculosis, supported ...
Computer screen sifts animal peptides for breast cancer drug leads
A computational pipeline filtered about 1,500 animal-derived antimicrobial peptides down to three candidates that dock strongly against the breast cancer ...
AI Takes Over Cryo-EM: Deep Neural Networks Now Automate Particle Picking, Map Reconstruction and Atomic Modelling
A comprehensive review details how deep neural networks are automating every stage of cryo-electron microscopy, from particle picking to high-resolution ...
Plant compounds show strong binding to diabetes drug targets in computer simulations
Computer simulations rank two plant-derived molecules as the strongest binders to PPARγ and SGLT2 receptors linked to type 2 diabetes, ...
TDP-43 Overexpression in Human Cells Reproduces Key ALS Pathology and Gene Changes
Scientists built an inducible human cell line that overproduces TDP-43, triggering toxicity, mislocalization, and gene expression changes that overlap with ...
Capsule Networks Push Antimicrobial Peptide Prediction Past 97 Percent Accuracy
A capsule neural network model called AMP-CapsNet achieved 97.29 percent test accuracy in classifying antimicrobial peptides when using dipeptide composition ...
Bone-Healing Plant Yields β-Sitosterol in Study Pairing Classic Pharmacognosy with Computer Docking
Researchers authenticated Cissus quadrangularis L., isolated and structurally confirmed β-sitosterol, and used computational docking and ADMET predictions to flag it ...
Four Decades of Anticancer Quinazoline Research Mapped in New Bibliometric Study
A new bibliometric and pharmacological review of 423 Scopus-indexed publications maps four decades of anticancer quinazoline research, revealing a 2018 ...
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