Amirhossein Taghavi

SMARTFlexDB links ligand-bound and ligand-free RNA structures to study conformational flexibility and small-molecule recognition, providing a resource for RNA-targeted drug discovery.

SMARTPocket uses geometric deep learning to predict RNA-small molecule binding pockets from 3D structures, outperforming existing methods and identifying cryptic ligandable sites.

The paper develops a chemoinformatics platform to discover RNA-binding small molecules, identifying ligands for the r(CUG)exp RNA in DM1 with splicing rescue activity.

The paper identifies bioactive ligands for the toxic r(G4C2)exp RNA using DNA-encoded libraries combined with docking and SAR analysis.

The paper develops a live-cell method to identify RNA-small molecule interactions and uses it to design selective RNA degraders.

SMARTBind uses deep learning and contrastive learning to identify small molecule binders to RNA without structural input, outperforming existing methods and reducing computational cost.

The paper identifies electrophilic compounds that covalently bind RNA and uses this insight to design an RNA-specific covalent binder for myotonic dystrophy type 1.

This paper designs an orally bioavailable small molecule that targets RNA to reduce 4R tau protein abundance and alleviate disease phenotypes in a mouse model.

This paper reports NMR structures and magnetic force spectroscopy studies of small molecules binding to RNA CAG repeat expansions, revealing their binding modes and structural effects.

The paper reports NMR structures of small molecules bound to an RNA CUG repeat expansion motif, revealing binding interactions and conformational changes that inform drug design.