Matches in SemOpenAlex for { <https://semopenalex.org/work/W2185987236> ?p ?o ?g. }
- W2185987236 abstract "One of the main pharmacological problems today in the treatment of chronic inflammation diseases consists of the fact that anti-inflammatory drugs usually exhibit side effects. The natural products offer a great hope in the identification of bioactive lead compounds and their development into drugs for treating inflammatory diseases. Computer-aided drug design has proved to be a very useful tool for discovering new drugs and, specifically, Molecular Topology has become a good technique for such a goal. A topological-mathematical model, obtained by linear discriminant analysis, has been developed for the search of new anti-inflammatory natural compounds. An external validation obtained with the remaining compounds (those not used in building up the model), has been carried out. Finally, a virtual screening on natural products was performed and 74 compounds showed actual anti-inflammatory activity. From them, 54 had been previously described as anti-inflammatory in the literature. This can be seen as a plus in the model validation and as a reinforcement of the role of Molecular Topology as an efficient tool for the discovery of new anti-inflammatory natural compounds." @default.
- W2185987236 created "2016-06-24" @default.
- W2185987236 creator A5057239507 @default.
- W2185987236 creator A5068139832 @default.
- W2185987236 creator A5068234333 @default.
- W2185987236 creator A5087754640 @default.
- W2185987236 date "2011-01-01" @default.
- W2185987236 modified "2023-10-18" @default.
- W2185987236 title "Modeling Natural Anti-Inflammatory Compounds by" @default.
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