Two complexes, the ESR2-isoflavanone complex and the PTGS2-1,7-Dihydroxy-3,9-dimethoxy pterocarpene complex, had the lowest binding affinities (−9.6 kcal/mol), suggesting that they could be the main active ingredients and targets of Astragalus membranaceus in the treatment of glioma. This evidence concerns the gene ESR2 and central nervous system cancer.