1096356-08-9Relevant academic research and scientific papers
Sila-Ibuprofen
Kleemiss, Florian,Justies, Aileen,Duvinage, Daniel,Watermann, Patrick,Ehrke, Eric,Sugimoto, Kunihisa,Fugel, Malte,Malaspina, Lorraine A.,Dittmer, Anneke,Kleemiss, Torsten,Puylaert, Pim,King, Nelly R.,Staubitz, Anne,Tzschentke, Thomas M.,Dringen, Ralf,Grabowsky, Simon,Beckmann, Jens
, p. 12614 - 12622 (2020)
The synthesis, characterization, biological activity, and toxicology of sila-ibuprofen, a silicon derivative of the most common nonsteroidal anti-inflammatory drug, is reported. The key improvements compared with ibuprofen are a four times higher solubility in physiological media and a lower melting enthalpy, which are attributed to the carbon-silicon switch. The improved solubility is of interest for postsurgical intravenous administration. A potential for pain relief is rationalized via inhibition experiments of cyclooxygenases I and II (COX-I and COX-II) as well as via a set of newly developed methods that combine molecular dynamics, quantum chemistry, and quantum crystallography. The binding affinity of sila-ibuprofen to COX-I and COX-II is quantified in terms of London dispersion and electrostatic interactions in the active receptor site. This study not only shows the potential of sila-ibuprofen for medicinal application but also improves our understanding of the mechanism of action of the inhibition process.
Silicon containing compounds and their use as anti-inflammatory agents
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, (2009/01/24)
The invention relates to a silicon containing compound of general formula I or their (R)- or (S)-enantiomer or salts or esters thereof, wherein X represents hydrogen or deuterium R represents CH3, C2H5, CF3 or C
