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 ...
Tag: drug discovery
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 ...
Four-Gene Signature Predicts Prostate Cancer Recurrence and Flags SPAG5 as Drug Target
A four-gene transcriptomic signature stratifies prostate cancer patients by biochemical recurrence risk and identifies SPAG5 as a targetable oncogene.
Self-Supervised AI Models Outpace Classical Pipelines in Reading Cell Morphology
Self-supervised foundation models pretrained on nearly 1.8 million unlabeled cell images outperformed the classical CellProfiler pipeline at retrieving compound replicates ...
New web tool brings molecular docking to any researcher’s browser
University of Tsukuba researchers have launched "Anyone Can Dock," a browser-based platform that automates molecular docking workflows and adds AI-assisted ...
FLASH Algorithm Breaks Data Bottleneck in High-Throughput Drug Screening
Scientists report a closed-loop high-throughput platform whose FLASH algorithm cuts chromatographic data processing from days to hours for solubility, LogD, ...
Computational screen of 407,270 natural compounds yields four predicted dengue polymerase inhibitors
A purely computational study screened 407,270 natural compounds against the dengue virus RNA-dependent RNA polymerase and identified four candidates with ...
Computational study ranks Andrographis diterpenoids at the PCSK9–LDLR interface
A computational study of six Andrographis paniculata diterpenoids found that andrograpanin, though not the top docking scorer, engaged the broadest ...
Computational Study Maps Resveratrol’s Potential Protein Targets in Lung Squamous Cell Carcinoma
A computational study combining database mining, network analysis and molecular docking identifies TP53, AKT1, IL6 and CCND1 as potential resveratrol ...
Machine Learning Screens Malaysian Kelulut Honey Compounds Against Allergy Receptor
An XGBoost ensemble model trained on docking data ranked kelulut honey phytochemicals by predicted binding to the histamine H1 receptor, ...
New Indole–Benzimidazole Hybrids Built Through Optimized Multistep Synthesis
Chemists report a scalable multistep synthesis of indole–benzimidazole–piperazine carboxamide hybrids, optimized bond by bond and computationally profiled without claims of ...
Bacterial Shikimate Network Offers Dual Targets for Antibiotic and Antivirulence Drugs
A new open-access review proposes attacking both the upstream enzymes of the bacterial shikimate pathway and the chorismate-derived siderophore systems ...
Ruthenium Catalysis Emerges as a Versatile Route to Bioactive Heterocycles
A new Frontiers in Chemistry review surveys ruthenium-catalyzed C–H activation, annulation, and hydrogen-borrowing strategies for building bioactive heterocycles.
Piperazine Derivatives Show Potent Antimicrobial and Anticancer Activity in Review
A systematic review of 2020–2025 research highlights piperazine derivatives with potent activity against bacteria, tuberculosis, breast cancer cells and Zika ...
AI in MS, NMOSD, autoimmune encephalitis and MOGAD: promise still outruns proof
A new review finds AI applications in CNS autoimmune diseases are expanding rapidly, yet no model has been prospectively validated ...
New Pyranopyrazole Compounds Show Selective Cytotoxicity Against Cancer Cells in Vitro
Two newly synthesized pyranopyrazole compounds, AL-21 and AL-31, showed selective cytotoxicity against breast, glioblastoma, and prostate cancer cells in vitro ...
New open database catalogues 256 natural products isolated from Ghana’s biodiversity
A new open-access database, GhanaNPDB, compiles 256 natural products isolated from Ghanaian plants, microbes and aquatic invertebrates into a single ...
Compounds from Jatropha curcas roots show potent, slow-acting activity against malaria parasites in the lab
Laboratory screening of compounds isolated from Jatropha curcas roots identified curcusones B and C as potent, slow-acting inhibitors of Plasmodium ...
