Ligand-based virtual screening to predict inhibitors against metastatic lymph node 64

Abstract

Conversion of cholesterol to pregnenolone is the rate-limiting step in steroidogenesis, which is mediated by StAR protein. The mammalian genome contains 15 START domain proteins (StARD1–StARD15) of which C-terminal cytosolic START domain of metastatic lymph node 64 (MLN64 or StARD3), is known to mobilize cholesterol and proposed to participate in steroidogenesis. Being a key in steroidogenesis, it is of interest to identify new inhibitors that are able to bind MLN64 protein. In the present study, we used ligand-based virtual screening approach to identify ligands from the ZINC database with D(−)-Tartaric Acid (TAR) serving as a template.