In - Silico Structural and Functional Prediction of Neuregulin 1 Isoforms and Screening of Inhibitors for Nogo Receptors from Neurprotective Plants

Abstract

The neuregulins (NRGs) are cell-cell signaling proteins and ligands for receptor tyrosine kinases of the ErbB family. Neuregulin 1 (Nrg 1) functional impairment is associated with many neurodegenerative diseases. The rationale behind this study was to find out the structure and function of unknown isoforms of Nrg 1 to understand regenerative signals and to find inhibitors for nogo protein to mimic inhibitory signals. In current study structure and function of unknown isoforms of Nrg 1 are predicted. The three dimensional structure was predicted by homology modeling using swiss model server and functions were predicted by using combfunc. Predicted unknown structure of nrg1 isoforms were docked on ErbB 3 receptor to confirm molecular function of combfunc. A active compounds from neuroprotective plants were screened to dock on nogo receptor to mimic the inhibitory signal. Based on docking score and binding energies of compounds at the active site of nogo receptor successfully docked compound were validated