Identification of potential molecular target of hypertension from Allium schoenoprasum by using network pharmacology and molecular docking strategies

Abstract

Hypertension is one of the silent killers in human life which is characterized by uncontrolled blood pressure. Although many therapeutic drugs have demonstrated success in treating hypertension, these treatments have their own drawbacks, most notably in terms of cost and side effects. Hypertension treatment with natural products has lately been proposed. This study focused on the potential of Allium schoenoprasum against hypertension based on network pharmacology and molecular docking strategies. Interested compounds and targets were identified by searching accessible databases. Protein-protein interaction (PPI), Gene ontology (GO), and Kyoto encyclopedia of genes and genomes (KEGG) were conducted to determine the potential targets from Allium schoenoprasum. In this study, 10 potentially active compounds were obtained. PPI results showed SCR, STAT3, PIK3R1, CTNBB1, and ESR1 as the main targets of hypertension. GO and KEGG investigation confirmed the PPI targets are mainly involved in protein binding and catalytic in the membrane and cytoplasm. In the end, by using molecular docking, kaempferol, isorhamnetin, and quercetin showed the most potent compounds in Allium schoenoprasum against hypertension. In summary, Allium schoenoprasum exhibited antihypertensive activity via network pharmacology and molecular docking approaches.