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 ...
Tag: drug discovery
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, ...
Soil bacterium from Cassia fistula rhizosphere yields anti-typhoid compound leads
A Pseudomonas aeruginosa strain isolated from Cassia fistula rhizosphere soil produced metabolites that showed antibacterial activity against Salmonella Typhi in ...
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 ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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