Virtual Screening and Pharmacokinetic Studies of Vaccinium oxycoccos L. Phytonutrients in Ulcer Induced Proinflammatory Mediated Targets

Abstract

Molecular docking is a computational online software tool for analyzing ligand-protein interactions. Phytoconstituents have rich antioxidant properties that play a leading role in treating various diseases. Generally, the incidence of peptic ulcers increases day by day due to the concomitant use of NSAIDs. Medicament that induces ulcers can suppress the release of all pro-inflammatory targets such as prostaglandin-endoperoxide synthase-1(COX 1), prostaglandin- endoperoxide-2 (COX 2), Prostin E-2 (EP2), Prostaglandin E-3 (EP3), Prostin E-4 (EP4), and stimulate histamine-2 (the H2 receptor). Herbal medicaments are generally used for treatment because they have decreased adverse effects. Docking studies on Phytonutrients are helpful for the investigation of complementarity of the ligand with the receptor at the molecular level. The main aim of this docking study is to target all mediators and compare the affinity of Phytomedicines. Chem Draw Pro 8.0, RCSB protein data bank, is the software used for docking. Additionally, pharmacokinetic studies are conducted on the herbal constituents to analyze the therapeutic efficacy.