Molecular docking of G. Pentaphyllum to LXRs receptors and agonist screening

摘要

In this paper, we used computer software as a screening platform and chose liver X receptor (LXR) as a target of fat adjustment to docked many compounds from G. Pentaphyllum in both of LXRs subtypes. In the section of Gynosaponins DOCK Program with LXRs, 108 of aglycones and saponins with one sugar from G. Pentaphyllum in literature were screened through DOCK program with LXRs. The strong-binding virtual compounds were selected which established the theoretical basis for further screening of cholesterol-lowering activity compounds from G. Pentaphyllum and provided the foundation of fat-lowering drug development.