Research Article
Antimicrobial triazinedione inhibitors of the translocase MraY–protein E interaction site: synergistic effects with bacitracin imply a new mechanism of action
A set of triazinedione peptidomimetics of an Arg-Trp-x-x-Trp motif found in MraY were found to show antimicrobial activity against antibiotic-resistant clinical isolates, via a novel mechanism of action.
Research Article
Design and synthesis of cyclic lipidated peptides derived from the C-terminus of Cx43 for hemichannel inhibition and cardiac endothelium targeting
Potent and stable cyclic peptide inhibitors of Cx43 were identified. Their therapeutic potential was enhanced by the addition of a lipid motif (preserving water solubility), and a targeting peptide, for delivery to cardiac endothelial cells.
Research Article
Novel PROTAC probes targeting KDM3 degradation to eliminate colorectal cancer stem cells through inhibition of Wnt/β-catenin signaling
We designed and synthesized novel IOX1-based PROTACs, which can selectively degrade KDM3A and KDM3B to eliminate colorectal cancer stem cells through inhibition of Wnt signaling.
The synthesis and bioactivities of ROCK2 inhibitors with 1,2-dithiolan-3-yl motif
Rho-associated coiled-coil containing kinase (ROCK) plays an important role in inflammation.
Exploiting spirooxindoles for dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy; synthesis, evaluation, and molecular modelling studies
A new spirooxindole was designed, synthesized and characterized as dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy.
Research Article
Identification of lysosomotropism using explainable machine learning and morphological profiling cell painting data
Explainable ML was used to identify important chemical structural properties that contribute to lysosomotropism.
Rosavin improves insulin resistance and alleviates hepatic and kidney damage via modulating the cGAS-STING pathway and autophagy signaling in HFD/STZ-induced T2DM animals
Background: Inflammation-mediated insulin resistance in type 2 diabetes mellitus (T2DM) increases complications, necessitating investigation of its mechanism to find new safe therapies.
Research Article
Live cell screening to identify RNA-binding small molecule inhibitors of the pre-let-7–Lin28 RNA–protein interaction
Dysregulation of the networking of RNA-binding proteins (RBPs) and RNAs drives many human diseases, including cancers, and the targeting of RNA–protein interactions (RPIs) has emerged as an exciting area of RNA-targeted drug discovery.
Research Article
1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists
Utilizing a combination of structure-based design, MCR synthesis, biophysics, and protein crystallography to innovate a novel tetrazole scaffold targeting the PD-1/PD-L1 immune checkpoint protein complex.