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Khabre desk
Recent reporting, analysis and explainers from the drug-discovery desk.
health
A bioRxiv preprint reports that the bacterial enzyme LysM can kill several Gram-negative hospital pathogens and disrupt their biofilms, particularly when combined with EDTA. Tests included laboratory experiments and a human airway organoid model, not treatment in patients.
science
A bioRxiv preprint reports that Cell Painting PLUS uses additional organelle-resolved imaging to improve morphological profiling of compounds. In tests of 284 compounds in U2OS cells, it performed better than conventional Cell Painting for identifying compounds that interfere with lysosome function.
science
A bioRxiv preprint describes PRIORITI, a framework that combines language-model synthesis of human genetic evidence with supervised learning to forecast whether a proposed drug target–disease pairing will succeed. The authors report results on historical and post-cutoff benchmark sets.
science
A bioRxiv preprint reports that targeted finetuning helped the co-folding model Boltz-1 predict a ligand-bound, inactive conformation of Werner helicase. The authors used ten previously unseen X-ray structures and report generalisation to other chemical series and related helicases.
science
A bioRxiv preprint introduces PLABench, a benchmark comparing nine deep-learning methods for predicting protein–ligand binding affinity. Its authors report that strong overall accuracy did not translate into consistent performance across targets or protein families.
science
Apple researchers describe SimpleDesign, a Transformer-based model that jointly generates protein sequences and three-dimensional structures using a single-stage training approach. The system was trained on more than 2 million sequence–structure pairs, but the supplied evidence reports no experimental validation of its designs.