3D‐chemocentric target deconvolution of unprecedented anti‐inflammatory drug scaffolds

Exploiting polypharmacology for drug target deconvolution.

Polypharmacology (action of drugs against multiple targets) represents a tempting avenue for new drug development; unfortunately, methods capable of exploiting the known polypharmacology of drugs for target deconvolution are lacking. Here, we present an ensemble approach using elastic net regularization combined with mRNA expression profiling and previously characterized data on a large set of ...

affinity based target deconvolution of safranal

High content cellular microarray for automated drug target deconvolution

Despite the promising paradigm offered by high-content screening, the concrete execution of hundred of thousands of visual cell-based experiments has remained highly challenging in terms of both statistical robustness and speed. An efficient computational method for cellular microarrays was developed at Institut Pasteur-Korea that allow for high speed, high content genome-wide siRNA screening. ...

A Nonsteroidal Antiinflammatory Drug: Aceclofenac

Aceclofenac (AC) is an effective non-steroidal antiinflammatory drug, which possesses remarkable antiinflammatory, analgesic and antipyretic properties. The analgesic and anti-inflammatory efficacy of AC is generally equivalent to that of comparator nonsteroidal antiinflammatory drugs (NSAIDs) with similar onset of action. AC also shows stimulatory effects on glycosaminoglycan synthesis in huma...

ABAB Phthalocyanines: Scaffolds for Building Unprecedented Donor–π–Acceptor Chromophores

Unique donor-π-acceptor phthalocyanines have been synthesized through the asymmetric functionalization of an ABAB phthalocyanine, crosswise functionalized with two iodine atoms through Pd-catalyzed cross-coupling reactions with adequate electron-donor and electron-acceptor moieties. These push-pull molecules have been optically and electrochemically characterized, and their ability to perform a...