Docking of Antischistosomal Natural Products with Relevant Protein Targets

摘要

A molecular docking investigation has been carried out on plant-derived antischistosomal natural products with known Schistosoma protein targets. The alkaloids emetine, sanguinarine, chelerythrine, protopine, allocryptopine, phaeanthine, gasabiimine, N-methylapateline, O-methylcocsoline, 1,2-dehydroapateline, and 1,2-dehydrotelobine; the neolignans virolin and surinamensin; and the terpenoids thymoquinone, artemisinin, goyazensolide, and trans-(-)-14,15-epoxygeranylgeraniol, have been examined for potential docking with the known drug targets Schistosoma glutathione S-transferase (GST), superoxide dismutase (SOD), and thioredoxin glutathione reductase (TGR). In addition, the promising antischistosomal protein targets purine nucleoside phosphorylase (PNP), eukaryotic initiation factor 4E (eIF4E) and cyclophilin A (CypA) have also been examined.