Identification of GIRK2 channel modulators

National Center For Advancing Translational Sciences

Investigators

Abstract

During the reporting period, the collaborative team worked to perform in silico screening of NCATS molecular libraries, using structural coordinates of GIRK channels. The homology model enabled in silico screening of 120M molecule from the ZINC15 database. GIRK2 modulator candidates were identified, and the activity of a number of candidates were confirmed in fluorescence flux and electrophysiological assays. Key compounds will be evaluated in additional molecular modeling, electrophysiological and functional assays.