TL;DR
The Fragment Molecular Orbital Sygnature Platform (FMO-SP) integrates quantum mechanics with automated workflows and intuitive visual analytics to provide residue-level, quantified energetic insights, supporting more predictive and resource-efficient drug discovery.
The concept of "undruggable" targets has long represented a major limitation in medicinal chemistry, referring to proteins and biomolecules that lack well-defined binding pockets or exhibit highly dynamic conformational behavior. However, advances in structural biology, chemical biology, and computational methodologies...
The ndMG modality represents a highly versatile strategy to unlock the undruggable proteome and is systematically highlighted to highlight their evolving capabilities to modulate oncogenic networks, intervene with immune activity, rectify metabolic signaling, control neurodegenerative trafficking and stress networks, a...
This review highlights recent clinical advances-including motixafortide and zilucoplan-and examines how UAAs are deployed to optimize drug-like characteristics across diverse therapeutic areas, and discusses emerging strategies, illustrative case studies, and design principles that collectively support the development...
This review comprehensively examines the biological significance of PPIs in human disease and details how MPPs effectively modulate historically undruggable targets, highlighting current synthetic strategies, peptide engineering platforms, and the clinical and preclinical status of leading MPP candidates, while weighin...
This review comprehensively summarizes recent advancements in the structural optimization of pyrazolone‐based compounds, highlighting how molecular hybridization drives polypharmacology against complex conditions, including neurodegenerative disorders, inflammation, metabolic syndromes, cancer, and infectious diseases.
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