BBAuthors: Adebesin, Ayomide Oluwadarasimi; Advisor: -; Participants: Ayodele, Abigail Oluwakemi; Omotoso, Olabode; Akinnusi, Precious Ayorinde; Olubode, Samuel Olawale (2022)
This study features a computational approach to screen phytochemicals of V. vinifera against β-catenin, a therapeutic target protein that takes part in carcinogenesis through the wnt pathway by employing molecular docking, pharmacokinetics screening, MM/GBSA, and pharmacophore modeling approach.
The molecular docking and binding energy study (Figs. 2 and 3) predicted seven compounds as lead compounds that show a better inhibitory potential when compared with the standard compounds, leucovorin Calcium and Xeloda.