Molecular Docking Studies of Pisonia Grandis against Herpes Simplex Virus: Insights from Computational Analysis

Pisonia grandis, a member of the Nyctaginaceae family, commonly known as Leechai kottai keerai, Muruval, and Chandu, holds significant medicinal value. This plant is recognized for its abundance in alkaloids, phenolic compounds, flavonoids, coumarins, and polypeptides. Our research focused on the phytochemical properties of methanol extracts derived from its leaves. Using bioinformatics tools, we conducted molecular docking studies of these bioactive components with proteins associated with herpes virus and liver cancer. Phytochemical analysis of the leaf extract indicated the presence of flavonoids, phenolic compounds and alkaloids. Results indicate that compounds within the leaf extracts exhibit strong binding affinity towards the protein receptors, suggesting potential therapeutic implications.