QSAR modeling of non-steroidal Farnesoid X Receptor activators
نویسنده
چکیده
Recent advances in Farnesoid X Receptor (FXR) biology demonstrate that FXR may represent a valuable target for the identification of novel drugs to treat variety of biological disorders. However, for therapeutic purposes the advanced development of selective FXR modulators requires preliminary in silico evaluation of potential ligand candidates. In the current study the capabilities for structure-activity modeling incorporated in the non commercial computational tool have been employed for investigation the activating effect of various non-steroidal FXR ligands. A total of 97 molecules, representing three chemical classes – n-benzylamine, Diarylethene and Cycloalkyl amide have been analyzed. The ultimate models associated to each chemical class provide knowledge about molecular descriptors that may influence the activation of FXR.
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تاریخ انتشار 2016