[Computational study on drug design and prediction of bioactivity for regulation of non-controlled psychotropic substances].

Abstract

We demonstrated design and synthesis of rescue ligands for agonists of the mutant vitamin D receptor (Arg274Leu), and performed QSAR study of non-controlled psychotropic substances and docking study of non-approved or unauthorized pharmaceuticals, inhibitors of human phosphodiesterase 5 (PDE5) using computer simulation.