Pharmacophore and docking-based sequential virtual screening for the identification of novel Sigma 1 receptor ligands.

ABSTRACT: Sigma 1 receptor (σ1), a small transmembrane protein expressed in most human cells participates in modulating the function of other membrane proteins such as G protein coupled receptors and ion channels. Several ligands targeting this receptor are currently in clinical trials for the treatment of Alzheimer's disease, ischemic stroke and neuro-pathic pain. Hence, this receptor has emerged as an attractive target for the treatment of neuro-pathological diseases with unmet medical needs. It is of interest to identify and characterise novelσ1 receptor ligands with different chemical scaffolds using computer-aided drug designing approach. In this work, a GPCR-focused chemical library consisting of 8543 compounds was screened by pharmacophore and docking-based virtual screening methods using Lig

SUBMITTER: Alamri MA 

PROVIDER: S-EPMC6822515 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature