Conformationally constrained and nanoparticle-targeted paclitaxels

Conformationally Constrained Nucleosides, Nucleotides and Oligonucleotides

Design, synthesis, and analysis of conformationally constrained nucleic acids.

In this review I discuss straightforward and general methods to modify nucleic acid structure with disulfide cross-links. A motivating factor in developing this chemistry was the notion that disulfide bonds would be excellent tools to probe the structure, dynamics, thermodynamics, folding, and function of DNA and RNA, much in the way that cystine cross-links have been used to study proteins. Th...

Dynamic Docking of Conformationally Constrained Macrocycles: Methods and Applications.

Many natural products consist of large and flexible macrocycles that engage their targets via multiple contact points. This combination of contained flexibility and large contact area often allows natural products to bind at target surfaces rather than deep pockets, making them attractive scaffolds for inhibiting protein-protein interactions and other challenging therapeutic targets. The increa...

Novel conformationally constrained analogues of agomelatine as new melatoninergic ligands.

Novel conformationally restricted analogues of agomelatine were synthesized and pharmacologically evaluated at MT₁ and MT₂ melatoninergic receptors. Replacement of the N-acetyl side chain of agomelatine by oxathiadiazole-2-oxide (compound 3), oxadiazole-5(4H)-one (compound 4), tetrazole (compound 5), oxazolidinone (compound 7a), pyrrolidinone (compound 7b), imidazolidinedione (compound 12), thi...

Strong conductance variation in conformationally constrained oligosilane tunnel junctions.

The effects of molecular conformation on conductance in oligosilane-bridged metal-molecule-metal junctions are studied theoretically using density functional theory combined with a nonequilibrium Green's function approach. Varying the internal SiSiSiSi dihedral angles in hexasilane diamine chains changes the conductance by up to 3 orders of magnitude. This conformational dependence is due to th...