Contributors to our ‘New Talent’ Collection
MedChemComm profiles the contributors to the ‘New Talent’ themed collection.
Non-covalent albumin-binding ligands for extending the circulating half-life of small biotherapeutics
This review provides a detailed examination and comparison of the diverse non-covalent albumin-binding ligands developed until now to extend the half-life of different small biotherapeutics.
Targeting S. mutans biofilms: a perspective on preventing dental caries
This review aims to provide an overview of the current small molecule strategies used for targeting S. mutans biofilms, and a perspective of the future for the field.
Messenger RNA delivery by hydrazone-activated polymers
Here we present the intracellular delivery of mRNA using polyhydrazones prepared in situ under physiological conditions, demonstrating the versatility and adaptability of this technology to more sensitive and therapeutically relevant nucleic acids.
Binding site characterization – similarity, promiscuity, and druggability
Promiscuity as key to drug repurposing, off-target prediction, polypharmacology: What can be learned based on the comparison of binding sites and the description of their properties? Herein, we discuss binding site similarities with a special focus on medicinal chemistry.
Druggability assessment of mammalian Per–Arnt–Sim [PAS] domains using computational approaches
Protein dynamics finely tune the “druggability” of mammalian PAS-B domains, as assessed by atomistic molecular dynamics simulations and hotspot mapping.
Photophysical properties and application in live cell imaging of B,B-fluoro-perfluoroalkyl BODIPYs
B,B-Fluoro-perfluoroalkyl BODIPYs 2 (R = CF3) and 3 (R = C2F5) exhibited higher photo- and chemical stability than B,B-difluoro-BODIPY 1.
Computation of protein–ligand binding free energies using quantum mechanical bespoke force fields
A quantum mechanical bespoke molecular mechanics force field is derived for the L99A mutant of T4 lysozyme and used to compute absolute binding free energies of six benzene analogs to the protein.
Synthesis of DNA-coupled isoquinolones and pyrrolidines by solid phase ytterbium- and silver-mediated imine chemistry
A solid phase-based strategy gave access to DNA-tagged heterocycles by metal-mediated imine chemistry, exemplified by Cushman- and 1,3-dipolar cycloaddition reactions.
Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines to develop functionalized ligands to target adenosine receptors: fluorescent ligands as an example
A series of adenosine receptor antagonists bearing a reactive linker was developed.
Design, synthesis and biological evaluation of β-peptoid-capped HDAC inhibitors with anti-neuroblastoma and anti-glioblastoma activity
Novel β-peptoid-capped HDAC inhibitors with anti-neuroblastoma and anti-glioblastoma activity were synthesized.