Repositioning of Quinazolinedione-Based Compounds on Soluble Epoxide Hydrolase (sEH) through 3D Structure-Based Pharmacophore Model-Driven Investigation

The development of new bioactive compounds represents one of the main purposes of the drug discovery process. Various tools can be employed to identify new drug candidates against pharmacologically relevant biological targets, and the search for new approaches and methodologies often represents a critical issue. In this context, in silico drug repositioning procedures are required even more in order to re-evaluate compounds that already showed poor biological results against a specific biological target. 3D structure-based pharmacophoric models, usually built for specific targets to accelerate the identification of new promising compounds, can be employed for drug repositioning campaigns as well. In this work, an in-house library of 190 synthesized compounds was re-evaluated using a 3D structure-based pharmacophoric model developed on soluble epoxide hydrolase (sEH). Among the analyzed compounds, a small set of quinazolinedione-based molecules, originally selected from a virtual combinatorial library and showing poor results when preliminarily investigated against heat shock protein 90 (Hsp90), was successfully repositioned against sEH, accounting the related built 3D structure-based pharmacophoric model. The promising results here obtained highlight the reliability of this computational workflow for accelerating the drug discovery/repositioning processes.     

Nanocomposite‐based stretchable optics

Stretchable and conformable optical devices open up very exciting perspectives for the fabrication of systems incorporating diffracting and optical power in a single element. Supersonic cluster beam implantation of silver nanoparticles in an elastomeric substrate grooved by molding allows effective fabrication of cheap and simple stretchable optical elements able to withstand thousands of deformations and stretching cycles without any degradation of their optical properties. The nanocomposite‐based reflective optical devices were characterized both morphologically and optically showing excellent performances and stability compared to similar devices fabricated with standard techniques. The nanocomposite‐based devices can therefore be applied to arbitrary curved nonoptical grade surfaces in order to achieve optical power and to minimize aberrations like astigmatism. The high resilience of the nanocomposite material on which the devices are based allows them to be peeled and reused multiple times.